Structure details of probe JNJ-65355394 and control JNJ-73924149
| JNJ-65355394 | JNJ-73924149 | |
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| IUPAC name | 1-(5-((3-((2,6-dimethyl-pyridin-4-yl)-methyl)-piperidin-1-yl)-methyl)-thiazol-2-ylamino)-ethanone | 1-(4-((3-((2,6-dimethyl-pyridin-4-yl)-methyl)-piperidin-1-yl)-methyl)-thiazol-2-ylamino)-ethanone |
| Molecular weight | 358.18 g/mol | 358.18 g/mol |
| SMILES | CC(Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)s1)=O | CC(Nc1nc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)cs1)=O |
| InChi | InChI=1S/C19H26N4OS/c1-13-7-17(8-14(2)21-13)9-16-5-4-6-23(11-16)12-18-10-20-19(25-18)22-15(3)24/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H,20,22,24)/t16-/m1/s1 | InChI=1S/C19H26N4OS/c1-13-7-17(8-14(2)20-13)9-16-5-4-6-23(10-16)11-18-12-25-19(22-18)21-15(3)24/h7-8,12,16H,4-6,9-11H2,1-3H3,(H,21,22,24)/t16-/m1/s1 |
| InChi key | CYFBRQHYEQKYHH-MRXNPFEDSA-N | VKYYOTCDIVOPRO-MRXNPFEDSA-N |
| Molecular formular | C19H26N4OS | C19H26N4OS |
| Number of chiral centres | 1 | 1 |
| Number of rotational bonds | 6 | 6 |
| Number of hydrogen bond acceptors | 5 | 5 |
| Number of hydrogen bond donors | 1 | 1 |