A1ELK
Summary
| Name: | Linafexor |
| Formula: | C28 H25 Cl2 F N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 571.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[4-[(1~{S},5~{R})-3-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluoranyl-phenyl]-4~{H}-1,2,4-oxadiazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H25Cl2FN4O4/c29-21-2-1-3-22(30)24(21)25-20(26(38-33-25)14-4-5-14)13-37-18-10-15-6-7-16(11-18)35(15)17-8-9-19(23(31)12-17)27-32-28(36)39-34-27/h1-3,8-9,12,14-16,18H,4-7,10-11,13H2,(H,32,34,36)/t15-,16+,18+ |
| InChIKey | InChI | 1.06 | CEEANZUSISGCJL-VQFNDLOPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(ccc1C2=NOC(=O)N2)N3[C@H]4CC[C@@H]3C[C@@H](C4)OCc5c(onc5c6c(Cl)cccc6Cl)C7CC7 |
| SMILES | CACTVS | 3.385 | Fc1cc(ccc1C2=NOC(=O)N2)N3[CH]4CC[CH]3C[CH](C4)OCc5c(onc5c6c(Cl)cccc6Cl)C7CC7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4C[C@H]5CC[C@@H](C4)N5c6ccc(c(c6)F)C7=NOC(=O)N7)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5CCC(C4)N5c6ccc(c(c6)F)C7=NOC(=O)N7)Cl |
