EYQ
Summary
| Name: | ~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide |
| Formula: | C25 H31 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 461.559 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H31N7O2/c1-15-13-27-25(30-24(34)17-7-8-17)29-21(15)19-14-26-22-18(19)5-4-6-20(22)28-23(33)16(2)32-11-9-31(3)10-12-32/h4-6,13-14,16-17,26H,7-12H2,1-3H3,(H,28,33)(H,27,29,30,34)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | IMKONRLYDLGQAV-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N1CCN(C)CC1)C(=O)Nc2cccc3c2[nH]cc3c4nc(NC(=O)C5CC5)ncc4C |
| SMILES | CACTVS | 3.385 | C[CH](N1CCN(C)CC1)C(=O)Nc2cccc3c2[nH]cc3c4nc(NC(=O)C5CC5)ncc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)[C@@H](C)N4CCN(CC4)C)NC(=O)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)C(C)N4CCN(CC4)C)NC(=O)C5CC5 |
