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BMS-813160 100mg

CAT: 0628-A17040-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A17040-100Size:100 mg
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CAS Number
1286279-29-5

Chemical Information

Bms-813160

BMS-813160 is under investigation in clinical trial NCT03496662 (BMS-813160 With Nivolumab and Gemcitabine and Nab-paclitaxel in Borderline Resectable and Locally Advanced Pancreatic Ductal Adenocarcinoma (PDAC)).

CAS Number1286279-29-5
PubChem CID51039119
IUPAC NameN-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide
Molecular FormulaC25H40N8O2
Molecular Weight484.6
XLogP2.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity778
SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C
InChI
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
InChIKey
CMVHFGNTABZQJU-HCXYKTFWSA-N
Chemical Structure
2D Structure
2D structure of Bms-813160
CAS: 1286279-29-5
CID: 51039119
Formula: C25H40N8O2
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass484.32742255
Monoisotopic Mass484.32742255
Topological Polar Surface Area117 Ų
Heavy Atom Count35
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA5245-5.1BMS-813160
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