General Information of the Compound
| Compound ID |
CP0393076
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| Compound Name |
(E)-N-(5-(4-(4-chlorophenyl)piperidin-1-yl)pentyl)-3-(3,4-dichlorophenyl)acrylamide
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| Structure |
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| Formula |
C25H29Cl3N2O
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| Molecular Weight |
479.879
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CCCCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C25H29Cl3N2O/c26-22-8-6-20(7-9-22)21-12-16-30(17-13-21)15-3-1-2-14-29-25(31)11-5-19-4-10-23(27)24(28)18-19/h4-11,18,21H,1-3,12-17H2,(H,29,31)/b11-5+
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| InChIKey |
BNRBTHYNGSWGLJ-VZUCSPMQSA-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