72K
Summary
| Name: | 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide |
| Formula: | C30 H29 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 491.584 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H29N5O2/c1-18-29-24(20-15-19-5-2-3-7-26(19)32-17-20)6-4-8-28(29)35(34-18)22-11-14-25(30(31)37)27(16-22)33-21-9-12-23(36)13-10-21/h2-8,11,14-17,21,23,33,36H,9-10,12-13H2,1H3,(H2,31,37)/t21-,23- |
| InChIKey | InChI | 1.03 | AXCOYFUJIGDTOH-AFARHQOCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c4cccc(c5cnc6ccccc6c5)c14 |
| SMILES | CACTVS | 3.385 | Cc1nn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4cccc(c5cnc6ccccc6c5)c14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5 |
