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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H33N5O2
Molecular Weight 495.6153
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ezobresib

SMILES

CN1N=NC(C)=C1C2=CN=C3C(=C2)N([C@@H](C4CCOCC4)C5=CC=CC=C5)C6=C3C=CC(=C6)C(C)(C)O

InChI

InChIKey=KGERZPVQIRYWRK-GDLZYMKVSA-N
InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H33N5O2
Molecular Weight 495.6153
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

Targets

Primary TargetPharmacologyConditionPotency
5.0 nM [IC50]
Substance Class Chemical
Record UNII
X8BW0MQ5PI
Record Status Validated (UNII)
Record Version