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Gdc-0339

CAS No.:
1428569-85-0
Catalog Number:
AG009CHZ
Molecular Formula:
C20H22F3N7OS
Molecular Weight:
465.4952
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Product Description
Catalog Number:
AG009CHZ
Chemical Name:
Gdc-0339
CAS Number:
1428569-85-0
Molecular Formula:
C20H22F3N7OS
Molecular Weight:
465.4952
MDL Number:
MFCD29048674
IUPAC Name:
5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
InChI Key:
NHXVGMQFCYBLTL-ZWNOBZJWSA-N
SMILES:
N[C@@H]1CCN(CC[C@H]1F)c1c(cnn1C)NC(=O)c1nc(sc1N)c1c(F)cccc1F
UNII:
2PRJ7DX38T
Properties
Complexity:
657  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
465.156g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
465.499g/mol
Monoisotopic Mass:
465.156g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties