| Stereochemistry | ACHIRAL |
| Molecular Formula | C35H34ClN5O3S2 |
| Molecular Weight | 672.259 |
| Optical Activity | NONE |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Axial stereochemistry |
SHOW SMILES / InChI
SMILES
CN1N=C2CSCC3=NN(C)C(C)=C3C4=C(Cl)C=CC5=C4N(C)C(C(O)=O)=C5CCCOC6=CC(SCC1=C2)=CC7=C6C=CC=C7
InChI
InChIKey=KBQCEQAXHPIRTF-UHFFFAOYSA-N
InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)
| Molecular Formula | C35H34ClN5O3S2 |
| Molecular Weight | 672.259 |
| 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 |
COMPETITIVE INHIBITOR
IC50
[<3] (average) |
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