Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07980"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
Pyridines and Derivatives
Organic Compounds
Heterocyclic Compounds
Pyridines and Derivatives
Aryl Chlorides
Imidazolidines
Nitro Compounds
Tertiary Amines
Guanidines
Polyamines
Imines
Organochlorides
imidazolidine
nitro compound
tertiary amine
guanidine
polyamine
organochloride
organohalogen
imine
amine
organonitrogen compound
logP
0.65
ALOGPS
logS
-2.9
ALOGPS
Water Solubility
3.46e-01 g/l
ALOGPS
logP
0.76
ChemAxon
IUPAC Name
2-chloro-5-{[(2E)-2-(nitroimino)imidazolidin-1-yl]methyl}pyridine
ChemAxon
Traditional IUPAC Name
imidacloprid
ChemAxon
Molecular Weight
255.661
ChemAxon
Monoisotopic Weight
255.052302296
ChemAxon
SMILES
[O-][N+](=O)\N=C1/NCCN1CC1=CN=C(Cl)C=C1
ChemAxon
Molecular Formula
C9H10ClN5O2
ChemAxon
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
ChemAxon
InChIKey
InChIKey=YWTYJOPNNQFBPC-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
86.34
ChemAxon
Refractivity
63.55
ChemAxon
Polarizability
23.28
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
2.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
86418
PubChem Substance
99444451
ChemSpider
77934
PDB
IM4
BE0003963
CHRNA7-FAM7A fusion protein
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
CHRNA7-FAM7A fusion protein
Involved in extracellular ligand-gated ion channel acti
CHRFAM7A
15q13.1
Membrane
144-164
172-192
205-225
240-254
380-400
6.55
46217.3
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:15781
GeneCards
CHRFAM7A
GenBank Gene Database
AK292984
GenBank Protein Database
158259429
UniProtKB
Q494W8
UniProt Accession
CRFM7_HUMAN
CHRNA7-DR1
D-10
>CHRNA7-FAM7A fusion protein
MQKYCIYQHFQFQLLIQHLWIAANCDIADERFDATFHTNVLVNSSGHCQYLPPGIFKSSC
YIDVRWFPFDVQHCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVGIPGKRSERFY
ECCKEPYPDVTFTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLL
SLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDGGKMPKW
TRVILLNWCAWFLRMKRPGEDKVRPACQHKQRRCSLASVEMSAVAPPPASNGNLLYIGFR
GLDGVHCVPTPDSGVVCGRMACSPTHDEHLLHGGQPPEGDPDLAKILEEVRYIANRFRCQ
DESEAVCSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
>1239 bp
ATGCAAAAATATTGCATCTACCAGCATTTTCAGTTCCAATTGCTAATCCAGCATTTGTGG
ATAGCTGCAAACTGTGATATTGCTGATGAGCGCTTTGACGCCACATTCCACACTAACGTG
TTGGTGAATTCTTCTGGGCATTGCCAGTACCTGCCTCCAGGCATATTCAAGAGTTCCTGC
TACATCGATGTACGCTGGTTTCCCTTTGATGTGCAGCACTGCAAACTGAAGTTTGGGTCC
TGGTCTTACGGAGGCTGGTCCTTGGATCTGCAGATGCAGGAGGCAGATATCAGTGGCTAT
ATCCCCAATGGAGAATGGGACCTAGTGGGAATCCCCGGCAAGAGGAGTGAAAGGTTCTAT
GAGTGCTGCAAAGAGCCCTACCCTGATGTCACCTTCACAGTGACCATGCGCCGCAGGACA
CTCTACTATGGCCTCAACCTGCTGATCCCCTGTGTGCTCATCTCCGCCCTCGCCCTGCTG
GTGTTCCTGCTTCCTGCAGATTCCGGGGAGAAGATTTCCCTGGGGATAACAGTCTTACTC
TCTCTTACCGTCTTCATGCTGCTCGTGGCTGAGATCATGCCCGCAACATCCGATTCGGTA
CCATTGATAGCCCAGTACTTCGCCAGCACCATGATCATCGTGGGCCTCTCGGTGGTGGTG
ACGGTGATCGTGCTGCAGTACCACCACCACGACCCCGACGGGGGCAAGATGCCCAAGTGG
ACCAGAGTCATCCTTCTGAACTGGTGCGCGTGGTTCCTGCGAATGAAGAGGCCCGGGGAG
GACAAGGTGCGCCCGGCCTGCCAGCACAAGCAGCGGCGCTGCAGCCTGGCCAGTGTGGAG
ATGAGCGCCGTGGCGCCGCCGCCCGCCAGCAACGGGAACCTGCTGTACATCGGCTTCCGC
GGCCTGGACGGCGTGCACTGTGTCCCGACCCCCGACTCTGGGGTAGTGTGTGGCCGCATG
GCCTGCTCCCCCACGCACGATGAGCACCTCCTGCACGGTGGGCAACCCCCCGAGGGGGAC
CCGGACTTGGCCAAGATCCTGGAGGAGGTCCGCTACATTGCCAACCGCTTCCGCTGCCAG
GACGAAAGCGAGGCGGTCTGCAGCGAGTGGAAGTTCGCCGCCTGTGTGGTGGACCGCCTG
TGCCTCATGGCCTTCTCGGTCTTCACCATCATCTGCACCATCGGCATCCTGATGTCGGCT
CCCAACTTCGTGGAGGCCGTGTCCAAAGACTTTGCGTAA
PF02931
Neur_chan_LBD
PF02932
Neur_chan_memb
component
cell
component
postsynaptic membrane
component
intrinsic to membrane
component
integral to membrane
component
membrane
function
receptor activity
function
transporter activity
function
ligand-gated ion channel activity
function
extracellular ligand-gated ion channel activity
function
neurotransmitter receptor activity
function
ion transporter activity
function
ion channel activity
function
signal transducer activity
process
cellular physiological process
process
transport
process
ion transport
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object