L-365260   

GtoPdb Ligand ID: 879

Synonyms: (R)-L 365260 | L 365260 | L365260
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.8
Molecular weight 398.17
XLogP 4.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
Isomeric SMILES Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)
InChI Key KDFQABSFVYLGPM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea
Synonyms
(R)-L 365260 | L 365260 | L365260
Database Links
CAS Registry No. 118101-09-0 (source: Scifinder)
ChEMBL Ligand CHEMBL289498
GtoPdb PubChem SID 135650467
PubChem CID 104929
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