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BMS 911543

CAT: 0024-sc-503862Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-503862Size:1 mg
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CAS Number
1271022-90-2

Chemical Information

Bms-911543

BMS-911543 has been used in trials studying the treatment of Cancer.

CAS Number1271022-90-2
PubChem CID50922691
IUPAC NameN,N-dicyclopropyl-7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
Molecular FormulaC23H28N8O
Molecular Weight432.5
XLogP2.9
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity717
SMILES
CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6
InChI
InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
InChIKey
JCINBYQJBYJGDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-911543
CAS: 1271022-90-2
CID: 50922691
Formula: C23H28N8O
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass432.23860755
Monoisotopic Mass432.23860755
Topological Polar Surface Area85.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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