BMS-908662   Click here for help

GtoPdb Ligand ID: 7968

Synonyms: BMS 908662 | BMS908662 | XL281
Compound class: Synthetic organic
Comment: BMS908662 is an orally active, small molecule B-RAF inhibitor with potential antineoplastic activity.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 107.55
Molecular weight 462.11
XLogP 4.41
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C
Isomeric SMILES COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C
InChI InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl N-[6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
Synonyms Click here for help
BMS 908662 | BMS908662 | XL281
Database Links Click here for help
CAS Registry No. 870603-16-0 (source: Scifinder)
GtoPdb PubChem SID 249565651
PubChem CID 56931136
Search Google for chemical match using the InChIKey MMNNTJYFHUDSKL-UHFFFAOYSA-N
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