763
Summary
| Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide |
| Synonyms: | 4'-fluoro-4,5-dihydroxy-N-{3-[(1H-pyrrolo[3,2-c]pyridin-1-yl)methoxy]propyl}[1,1'-biphenyl]-3-carboxamide |
| Formula: | C24 H22 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 435.448 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4'-fluoro-4,5-dihydroxy-N-{3-[(1H-pyrrolo[3,2-c]pyridin-1-yl)methoxy]propyl}[1,1'-biphenyl]-3-carboxamide |
| OpenEye OEToolkits | 2.0.5 | 5-(4-fluorophenyl)-2,3-bis(oxidanyl)-~{N}-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(C(NCCCOCn1c2c(cc1)cncc2)=O)c(O)c(O)cc3c4ccc(cc4)F |
| InChI | InChI | 1.03 | InChI=1S/C24H22FN3O4/c25-19-4-2-16(3-5-19)18-12-20(23(30)22(29)13-18)24(31)27-8-1-11-32-15-28-10-7-17-14-26-9-6-21(17)28/h2-7,9-10,12-14,29-30H,1,8,11,15H2,(H,27,31) |
| InChIKey | InChI | 1.03 | RWYTVUVWQHASIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc(C(=O)NCCCOCn2ccc3cnccc23)c1O)c4ccc(F)cc4 |
| SMILES | CACTVS | 3.385 | Oc1cc(cc(C(=O)NCCCOCn2ccc3cnccc23)c1O)c4ccc(F)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F |
