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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H42N6O4
Molecular Weight 562.703
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Fidrisertib

SMILES

CCOC1(CCN(CC1)C(C)C)C2=CN=C(C=C2)C3=CN4N=CC=C(N5CCN(CC5)C(=O)O[C@@H]6CCOC6)C4=C3

InChI

InChIKey=SWVYYNLRVIYURK-AREMUKBSSA-N
InChI=1S/C31H42N6O4/c1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26/h5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3/t26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H42N6O4
Molecular Weight 562.703
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
KF4ZI0CJ7M
Record Status Validated (UNII)
Record Version