General Information of the Compound
| Compound ID |
CP0463748
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| Compound Name |
(S)-N-(3-(4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-(3-fluorophenyl)propyl)-4,4-difluorocyclohexanecarboxamide
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| Structure |
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| Formula |
C25H34F3N5O
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| Molecular Weight |
477.575
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| Canonical SMILES |
Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2cccc(F)c2)CC1
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| InChI |
InChI=1S/C25H34F3N5O/c1-17-30-31-18(2)33(17)22-8-13-32(14-9-22)15-10-23(20-4-3-5-21(26)16-20)29-24(34)19-6-11-25(27,28)12-7-19/h3-5,16,19,22-23H,6-15H2,1-2H3,(H,29,34)/t23-/m0/s1
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| InChIKey |
OJZMUURUHJEXLT-QHCPKHFHSA-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