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GSK2636771 2mg

CAT: 0628-A11784-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A11784-2Size:2 mg
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CAS Number
1372540-25-4

Chemical Information

Gsk-2636771

GSK2636771 has been used in trials studying the treatment of CANCER, LYMPHOMA, Solid Neoplasm, Recurrent Solid Neoplasm, and Advanced Malignant Neoplasm, among others.

CAS Number1372540-25-4
PubChem CID56949517
IUPAC Name2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
Molecular FormulaC22H22F3N3O3
Molecular Weight433.4
XLogP4
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity643
SMILES
CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)O)C
InChI
InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)
InChIKey
XTKLTGBKIDQGQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-2636771
CAS: 1372540-25-4
CID: 56949517
Formula: C22H22F3N3O3
MW: 433.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight433.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass433.16132606
Monoisotopic Mass433.16132606
Topological Polar Surface Area67.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity643
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