UXE
Summary
| Name: | 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol |
| Formula: | C30 H41 N7 O |
| Formal charge: | 0 |
| Formula weight: | 515.693 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H41N7O/c1-29(2)10-14-36(15-11-29)21-26-9-8-25(20-31-26)33-22-30(38)12-16-37(17-13-30)28-18-27(34-23-35-28)32-19-24-6-4-3-5-7-24/h3-9,18,20,23,33,38H,10-17,19,21-22H2,1-2H3,(H,32,34,35) |
| InChIKey | InChI | 1.03 | GTLDMCHZRAFXCB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCN(CC1)Cc2ccc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)cn2 |
| SMILES | CACTVS | 3.385 | CC1(C)CCN(CC1)Cc2ccc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C |
