FXR
Summary
| Name: | 6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide |
| Formula: | C19 H16 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 360.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-11-methyl-2-oxidanylidene-~{N}-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H16N6O2/c1-11-4-3-7-25-17(11)24-16-14(19(25)27)8-13(15(20)23-16)18(26)22-10-12-5-2-6-21-9-12/h2-9H,10H2,1H3,(H2,20,23)(H,22,26) |
| InChIKey | InChI | 1.03 | FDRSMDXOIMNVLE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C12)C(=O)NCc4cccnc4 |
| SMILES | CACTVS | 3.385 | CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C12)C(=O)NCc4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O |
