(+)-SCH-23390   

GtoPdb Ligand ID: 956

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 23.47
Molecular weight 287.11
XLogP 3.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O
Isomeric SMILES CN1CCc2c([C@@H](C1)c1ccccc1)cc(c(c2)Cl)O
InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1
InChI Key GOTMKOSCLKVOGG-HNNXBMFYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(1S)-7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
Database Links
ChEMBL Ligand CHEMBL63321
GtoPdb PubChem SID 135651024
PubChem CID 6603800
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