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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N6O3
Molecular Weight 460.5282
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-2798745

SMILES

CC(C)(O)C1=NC=C(N=C1)N2C[C@@]3(CCC[C@](C)(CN4C=NC5=C4C=C(C=C5)C#N)C3)OC2=O

InChI

InChIKey=URCMKDJBULWNAI-DQEYMECFSA-N
InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H28N6O3
Molecular Weight 460.5282
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
63FJ7LF55O
Record Status Validated (UNII)
Record Version