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PredicateValue (sorted: default)
rdfs:label
"(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol"
rdf:type
ns1:drugs
ns1:description
" experimental This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Carbazoles Organic Compounds Heterocyclic Compounds Indoles and Derivatives Carbazoles Indoles Phenol Ethers Alkyl Aryl Ethers Pyrroles Secondary Alcohols 1,2-Aminoalcohols Polyamines Dialkylamines indole phenol ether alkyl aryl ether benzene pyrrole 1,2-aminoalcohol secondary alcohol secondary amine polyamine ether secondary aliphatic amine amine alcohol organonitrogen compound logP 3.12 ALOGPS logS -4 ALOGPS Water Solubility 3.10e-02 g/l ALOGPS logP 2.71 ChemAxon IUPAC Name [(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl](propan-2-yl)amine ChemAxon Traditional IUPAC Name [(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl](isopropyl)amine ChemAxon Molecular Weight 298.3795 ChemAxon Monoisotopic Weight 298.168127958 ChemAxon SMILES [H][C@](O)(CNC(C)C)COC1=CC=CC2=C1C1=C(N2)C=CC=C1 ChemAxon Molecular Formula C18H22N2O2 ChemAxon InChI InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1 ChemAxon InChIKey InChIKey=BQXQGZPYHWWCEB-ZDUSSCGKSA-N ChemAxon Polar Surface Area (PSA) 57.28 ChemAxon Refractivity 87.79 ChemAxon Polarizability 34.14 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 14.03 ChemAxon pKa (strongest basic) 9.67 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 13023332 PubChem Substance 99444014 PDB CAU BE0001248 Lysozyme Enterobacteria phage T4 # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Lysozyme Involved in lysozyme activity Helps to release the mature phage particles from the cell wall by breaking down the peptidoglycan E Cytoplasmic None 10.08 18636.0 Enterobacteria phage T4 GenBank Gene Database X04567 GenBank Protein Database 15261 UniProtKB P00720 UniProt Accession LYS_BPT4 EC 3.2.1.17 Endolysin Lysis protein Muramidase >Lysozyme MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNCNGVITK DEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCALINMVFQMGETGVAGFTNSLRM LQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL >495 bp ATGAATATATTTGAAATGTTACGTATAGATGAACGTCTTAGACTTAAAATCTATAAAGAC ACAGAAGGCTATTACACTATTGGCATCGGTCATTTGCTTACAAAAAGTCCATCACTTAAT GCTGCTAAATCTGAATTAGATAAAGCTATTGGGCGTAATTGCAATGGTGTAATTACAAAA GATGAGGCTGAAAAACTCTTTAATCAGGATGTTGATGCTGCTGTTCGCGGAATTCTGAGA AATGCTAAATTAAAACCGGTTTATGATTCTCTTGATGCGGTTCGTCGCTGTGCATTGATT AATATGGTTTTCCAAATGGGAGAAACCGGTGTGGCAGGATTTACTAACTCTTTACGTATG CTTCAACAAAAACGCTGGGATGAAGCAGCAGTTAACTTAGCTAAAAGTATATGGTATAAT CAAACACCTAATCGCGCAAAACGAGTCATTACAACGTTTAGAACTGGCACTTGGGACGCG TATAAAAATCTATAA PF00959 Phage_lysozyme function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function lysozyme activity function catalytic activity function hydrolase activity process physiological process process catabolism process cellular catabolism process metabolism process cell wall catabolism process peptidoglycan catabolism process macromolecule metabolism process carbohydrate metabolism process cellular carbohydrate metabolism process peptidoglycan metabolism BE0000694 Beta-2 adrenergic receptor Human # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Beta-2 adrenergic receptor Involved in beta2-adrenergic receptor activity Beta-adrenergic receptors mediate the catecholamine- induced activation of adenylate cyclase through the action of G proteins. The beta-2-adrenergic receptor binds epinephrine with an approximately 30-fold greater affinity than it does norepinephrine ADRB2 5q31-q32 Membrane; multi-pass membrane protein 35-58 72-95 107-129 151-174 197-220 275-298 306-329 7.44 46557.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:286 GenAtlas ADRB2 GeneCards ADRB2 GenBank Gene Database Y00106 GenBank Protein Database 29371 IUPHAR 29 Guide to Pharmacology 4 UniProtKB P07550 UniProt Accession ADRB2_HUMAN Beta-2 adrenoceptor Beta-2 adrenoreceptor >Beta-2 adrenergic receptor MGQPGNGSAFLLAPNRSHAPDHDVTQQRDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAK FERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTAS IETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQE AINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRF HVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD NLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNT GEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL >1242 bp ATGGGGCAACCCGGGAACGGCAGCGCCTTCTTGCTGGCACCCAATAGAAGCCATGCGCCG GACCACGACGTCACGCAGCAAAGGGACGAGGTGTGGGTGGTGGGCATGGGCATCGTCATG TCTCTCATCGTCCTGGCCATCGTGTTTGGCAATGTGCTGGTCATCACAGCCATTGCCAAG TTCGAGCGTCTGCAGACGGTCACCAACTACTTCATCACTTCACTGGCCTGTGCTGATCTG GTCATGGGCCTGGCAGTGGTGCCCTTTGGGGCCGCCCATATTCTTATGAAAATGTGGACT TTTGGCAACTTCTGGTGCGAGTTTTGGACTTCCATTGATGTGCTGTGCGTCACGGCCAGC ATTGAGACCCTGTGCGTGATCGCAGTGGATCGCTACTTTGCCATTACTTCACCTTTCAAG TACCAGAGCCTGCTGACCAAGAATAAGGCCCGGGTGATCATTCTGATGGTGTGGATTGTG TCAGGCCTTACCTCCTTCTTGCCCATTCAGATGCACTGGTACCGGGCCACCCACCAGGAA GCCATCAACTGCTATGCCAATGAGACCTGCTGTGACTTCTTCACGAACCAAGCCTATGCC ATTGCCTCTTCCATCGTGTCCTTCTACGTTCCCCTGGTGATCATGGTCTTCGTCTACTCC AGGGTCTTTCAGGAGGCCAAAAGGCAGCTCCAGAAGATTGACAAATCTGAGGGCCGCTTC CATGTCCAGAACCTTAGCCAGGTGGAGCAGGATGGGCGGACGGGGCATGGACTCCGCAGA TCTTCCAAGTTCTGCTTGAAGGAGCACAAAGCCCTCAAGACGTTAGGCATCATCATGGGC ACTTTCACCCTCTGCTGGCTGCCCTTCTTCATCGTTAACATTGTGCATGTGATCCAGGAT AACCTCATCCGTAAGGAAGTTTACATCCTCCTAAATTGGATAGGCTATGTCAATTCTGGT TTCAATCCCCTTATCTACTGCCGGAGCCCAGATTTCAGGATTGCCTTCCAGGAGCTTCTG TGCCTGCGCAGGTCTTCTTTGAAGGCCTATGGGAATGGCTACTCCAGCAACGGCAACACA GGGGAGCAGAGTGGATATCACGTGGAACAGGAGAAAGAAAATAAACTGCTGTGTGAAGAC CTCCCAGGCACGGAAGACTTTGTGGGCCATCAAGGTACTGTGCCTAGCGATAACATTGAT TCACAAGGGAGGAATTGTAGTACAAATGACTCACTGCTGTAA PF00001 7tm_1 component intrinsic to membrane component integral to membrane component membrane component cell function amine receptor activity function signal transducer activity function adrenoceptor activity function receptor activity function beta-adrenergic receptor activity function transmembrane receptor activity function beta2-adrenergic receptor activity function G-protein coupled receptor activity function rhodopsin-like receptor activity process cell surface receptor linked signal transduction process G-protein coupled receptor protein signaling pathway process cellular process process cell communication process signal transduction "

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