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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25ClN6O2
Molecular Weight 428.915
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPIVASERTIB

SMILES

NC1(CCN(CC1)C2=C3C=CNC3=NC=N2)C(=O)N[C@@H](CCO)C4=CC=C(Cl)C=C4

InChI

InChIKey=JDUBGYFRJFOXQC-KRWDZBQOSA-N
InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H25ClN6O2
Molecular Weight 428.915
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
WFR23M21IE
Record Status Validated (UNII)
Record Version