Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07883"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
Linear Diarylheptanoids
Organic Compounds
Phenylpropanoids and Polyketides
Diarylheptanoids
Linear Diarylheptanoids
Chalcones and Dihydrochalcones
Acetophenones
Benzoyl Derivatives
Ketones
Enolates
Polyamines
Monoalkylamines
chalcone or dihydrochalcone
acetophenone
benzoyl
benzene
ketone
enolate
polyamine
amine
primary aliphatic amine
carbonyl group
primary amine
organonitrogen compound
logP
3.56
ALOGPS
logS
-5
ALOGPS
Water Solubility
3.23e-03 g/l
ALOGPS
logP
3.88
ChemAxon
IUPAC Name
(1R,2R,3S,4S)-2-benzoyl-3-phenylbicyclo[2.2.1]heptan-2-amine
ChemAxon
Traditional IUPAC Name
(1R,2R,3S,4S)-2-benzoyl-3-phenylbicyclo[2.2.1]heptan-2-amine
ChemAxon
Molecular Weight
291.3868
ChemAxon
Monoisotopic Weight
291.162314299
ChemAxon
SMILES
[H][C@]12CC[C@]([H])(C1)[C@](N)(C(=O)C1=CC=CC=C1)[C@]2([H])C1=CC=CC=C1
ChemAxon
Molecular Formula
C20H21NO
ChemAxon
InChI
InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1
ChemAxon
InChIKey
InChIKey=XJQDTOANLAPEIM-JRBPQWBISA-N
ChemAxon
Polar Surface Area (PSA)
43.09
ChemAxon
Refractivity
88.06
ChemAxon
Polarizability
32.19
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
7.94
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
446476
PubChem Substance
99444354
ChemSpider
393817
PDB
HBC
BE0002815
Ig gamma-1 chain C region
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
Ig gamma-1 chain C region
IGHG1
14q32.33
None
8.31
36106.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:5525
GenAtlas
IGHG1
UniProtKB
P01857
UniProt Accession
IGHG1_HUMAN
>Ig gamma-1 chain C region
ASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSS
GLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGG
PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYN
STYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDE
LTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRW
QQGNVFSCSVMHEALHNHYTQKSLSLSPGK
PF07654
C1-set
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object