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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40N8O2
Molecular Weight 484.6375
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-813160

SMILES

CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@H](NC3=NC=NC4=CC(=NN34)C(C)(C)C)C2=O)NC(C)(C)C

InChI

InChIKey=CMVHFGNTABZQJU-HCXYKTFWSA-N
InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H40N8O2
Molecular Weight 484.6375
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
6.2 nM [IC50]
3.6 nM [IC50]
Substance Class Chemical
Record UNII
83U7957287
Record Status Validated (UNII)
Record Version