| PDB CCD ID: | 2KW |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C17 H11 Cl F3 N5 O3 |
| InChI: | InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28) |
| InChIKey: | ZIAOVIPSKUPPQW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C(=O)NN=C1CN2C=CC(=C(Oc3cc(Cl)cc(c3)C#N)C2=O)C(F)(F)F | | ACDLabs 12.01 | FC(F)(F)C2=C(Oc1cc(C#N)cc(Cl)c1)C(=O)N(C=C2)CC3=NNC(=O)N3C | | OpenEye OEToolkits 1.7.6 | CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F |
|
| Name: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile;
Doravirine |
| ChEMBL: | CHEMBL2364608 |
| DrugBank: | DB12301 |
| ZINC: | ZINC000072317283 |
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