| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H37N7O2 |
| Molecular Weight | 539.6712 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(NC2=NC(=CC=N2)C3=C4CCCCN4C5=C3C=CC=C5)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C
InChI
InChIKey=PLUKVDOZEJBBIS-UHFFFAOYSA-N
InChI=1S/C31H37N7O2/c1-6-29(39)33-23-19-24(28(40-5)20-27(23)37(4)18-17-36(2)3)35-31-32-15-14-22(34-31)30-21-11-7-8-12-25(21)38-16-10-9-13-26(30)38/h6-8,11-12,14-15,19-20H,1,9-10,13,16-18H2,2-5H3,(H,33,39)(H,32,34,35)
| Molecular Formula | C31H37N7O2 |
| Molecular Weight | 539.6712 |
| 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
|
|
TARGET -> INHIBITOR |
IRREVERSIBLE INHIBITOR
IC50
18 NANOMOLAR (average) |
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