General Information of the Compound
| Compound ID |
CP0181874
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| Compound Name |
(4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C24H33N3O3
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| Molecular Weight |
411.546
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| Canonical SMILES |
Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1
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| InChI |
InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1
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| InChIKey |
OLJFTJILJDDJGV-SLFFLAALSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound