| PDB CCD ID: | DRK |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H19 N3 O4 |
| InChI: | InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,23-25H,9-11H2/t12-/m0/s1 |
| InChIKey: | CKLAPOFDFZKCPB-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH](O)CCONc1c([nH]c2ccccc12)C3=C4C=CC=CC4=NC3=O | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCCC(CO)O | | ACDLabs 10.04 | O=C2N=C1C=CC=CC1=C2c4c(NOCCC(O)CO)c3ccccc3n4 | | CACTVS 3.341 | OC[C@@H](O)CCONc1c([nH]c2ccccc12)C3=C4C=CC=CC4=NC3=O | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCC[C@@H](CO)O |
|
| Name: | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one;
Indirubin_E804 |
| DrugBank: | DB07676 |
| ZINC: | ZINC000033943519 |
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