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| Ligand ID | IYC |
| InChI | InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1 |
| InChIKey | UUDPUQDMSHQSKH-NSHDSACASA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCN1Cc2c(ccc(c2C#N)F)OC(CNC(=O)c3c(nn4c3nc1cc4)N)C | | OpenEye OEToolkits 2.0.7 | CCN1Cc2c(ccc(c2C#N)F)O[C@H](CNC(=O)c3c(nn4c3nc1cc4)N)C | | CACTVS 3.385 | CCN1Cc2c(O[C@@H](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N | | CACTVS 3.385 | CCN1Cc2c(O[CH](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N |
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| Formula | C20 H20 F N7 O2 |
| Name | Elzovantinib;
(11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-5-carbonitrile;
TPX-0022 |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8k79 Chain B Residue 601
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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