| PDB CCD ID: | D42 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H23 N7 O2 S |
| InChI: | InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30) |
| InChIKey: | KRKQVGZXTNLQSV-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CN1CCN(CC1)NC(=O)Nc2cccc3c4n[nH]c(c5sc(C)nc5C)c4C(=O)c23 | | ACDLabs 10.04 | O=C(NN1CCN(C)CC1)Nc2cccc3c2C(=O)c4c(nnc34)c5sc(nc5C)C | | OpenEye OEToolkits 1.5.0 | Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C |
|
| Name: | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA;
DPH-042562 |
| ChEMBL: | CHEMBL325023 |
| DrugBank: | DB07622 |
| ZINC: | ZINC000000595002 |
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