| PDB CCD ID: | TUH |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C20 H20 N4 O3 |
| InChI: | InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27) |
| InChIKey: | RVAQIUULWULRNW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C | | ACDLabs 12.01 | O=C1N(C(=NN1)c2c(O)cc(O)c(c2)C(C)C)c4cc3ccn(c3cc4)C | | CACTVS 3.370 | CC(C)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccc4n(C)ccc4c3 |
|
| Name: | 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one;
Ganetespib |
| ChEMBL: | CHEMBL2103879 |
| DrugBank: | DB12047 |
| ZINC: | ZINC000043130413 |
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