General Information of the Compound
| Compound ID |
CP0464118
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| Compound Name |
(E)-N-(4-(4-(4-chlorophenyl)piperidin-1-yl)butyl)-3-(3,5-dichlorophenyl)acrylamide
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| Structure |
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| Formula |
C24H27Cl3N2O
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| Molecular Weight |
465.852
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CCCCNC(=O)\C=C\c2cc(Cl)cc(Cl)c2)CC1
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| InChI |
InChI=1S/C24H27Cl3N2O/c25-21-6-4-19(5-7-21)20-9-13-29(14-10-20)12-2-1-11-28-24(30)8-3-18-15-22(26)17-23(27)16-18/h3-8,15-17,20H,1-2,9-14H2,(H,28,30)/b8-3+
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| InChIKey |
XSTYEOGYGAIOPO-FPYGCLRLSA-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