9QU
Summary
| Name: | N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide |
| Formula: | C24 H27 N5 O |
| Formal charge: | 0 |
| Formula weight: | 401.504 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-(1~{H}-benzimidazol-2-yl)cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CNCc1cc2ccccc2[NH]1)NC1CCC(CC1)c1nc2ccccc2[NH]1 |
| InChI | InChI | 1.03 | InChI=1S/C24H27N5O/c30-23(15-25-14-19-13-17-5-1-2-6-20(17)26-19)27-18-11-9-16(10-12-18)24-28-21-7-3-4-8-22(21)29-24/h1-8,13,16,18,25-26H,9-12,14-15H2,(H,27,30)(H,28,29)/t16-,18+ |
| InChIKey | InChI | 1.03 | HLHNFJNSQZZUNW-MAEOIBBWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CNCc1[nH]c2ccccc2c1)N[C@@H]3CC[C@@H](CC3)c4[nH]c5ccccc5n4 |
| SMILES | CACTVS | 3.385 | O=C(CNCc1[nH]c2ccccc2c1)N[CH]3CC[CH](CC3)c4[nH]c5ccccc5n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4 |
