V4T
Summary
| Name: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2 |
| Synonyms: | 146250992 |
| Formula: | C24 H21 Cl F2 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 486.898 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | KYVBBJIEKCCZTM-OLZOCXBDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN2[C@@H](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C |
| SMILES | CACTVS | 3.385 | C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN2c3c4c(c(c(c(c4OCCC2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3 |
