General Information of the Compound
Compound ID
CP0317848
Compound Name
BMS-908662
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Synonyms
870603-16-0
BMS 908662
BMS-908662
BMS-908662 free base
BMS908662
CHEMBL3545027
Carbamic acid, (5-(2-(5-chloro-2-methylphenyl)-2,3-dihydro-1-hydro
Carbamic acid, N-(6-(2-(5-chloro-2-methylphenyl)-2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)-1H-benzimidazol-2-yl)-, methyl ester
DB12854
EXEL-2819
GTPL7968
Methyl (5-(2-(5-chloro-2-methyl
Methyl (5-(2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-1H-benzimidazol-2-yl)carbamate, (+/-)-
SCHEMBL10049428
SCHEMBL20299316
XL 281
XL-281
XL281
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Structure
Formula
C24H19ClN4O4
Molecular Weight
462.893
Canonical SMILES
COC(=O)Nc1nc2cc(ccc2[nH]1)C1(O)N(C(=O)c2ccccc12)c1cc(Cl)ccc1C
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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)
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InChIKey
MMNNTJYFHUDSKL-UHFFFAOYSA-N
CAS
870603-16-0
Physicochemical Property
logP
4.55682
Rotatable Bonds
3
Heavy Atom Count
33
Polar Areas
107.55
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
33

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 56931136
SID: 135630167
ChEMBL ID
CHEMBL3545027
DrugBank ID
DB12854
Clinical Information about the Compound
Drug 1 ( BMS-908662 )
Drug Name BMS-908662
Company Exelixis; Bristol-Myers Squibb
Indication
Solid tumour/cancer
Phase 1
Target(s)
Serine/threonine-protein kinase B-raf (BRAF)
Inhibitor