A1JPQ
Summary
| Name: | ~{N}-[(~{S})-[3-[[(6~{R})-3-bromanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide |
| Formula: | C21 H27 Br N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 503.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(~{S})-[3-[[(6~{R})-3-bromanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H27BrN8O2/c1-12-18(29-32-28-12)21(31)25-19(14-5-3-2-4-6-14)20-24-16(26-27-20)9-13-7-8-17-23-10-15(22)30(17)11-13/h10,13-14,19H,2-9,11H2,1H3,(H,25,31)(H,24,26,27)/t13-,19+/m1/s1 |
| InChIKey | InChI | 1.06 | QIVXRFMQXXJDLC-YJYMSZOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nonc1C(=O)N[C@@H](C2CCCCC2)c3[nH]nc(C[C@H]4CCc5ncc(Br)n5C4)n3 |
| SMILES | CACTVS | 3.385 | Cc1nonc1C(=O)N[CH](C2CCCCC2)c3[nH]nc(C[CH]4CCc5ncc(Br)n5C4)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(non1)C(=O)N[C@H](c2[nH]nc(n2)C[C@H]3CCc4ncc(n4C3)Br)C5CCCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(non1)C(=O)NC(c2[nH]nc(n2)CC3CCc4ncc(n4C3)Br)C5CCCCC5 |
