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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28ClN7O
Molecular Weight 526.032
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of Opnurasib

SMILES

CN1N=CC2=C1C=CC(=C2)C3=NN(C4CC5(C4)CN(C5)C(=O)C=C)C(C)=C3C6=C7C=NNC7=CC(C)=C6Cl

InChI

InChIKey=AZUYLZMQTIKGSC-UHFFFAOYSA-N
InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)

HIDE SMILES / InChI

Molecular Formula C29H28ClN7O
Molecular Weight 526.032
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
Q3W0H3V1LQ
Record Status Validated (UNII)
Record Version