General Information of the Compound
| Compound ID |
CP0513811
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| Compound Name |
(E)-1-(4-(2-(4-(4-chlorophenyl)piperidin-1-yl)ethyl)piperidin-1-yl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C27H31Cl3N2O
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| Molecular Weight |
505.917
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CCC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H31Cl3N2O/c28-24-5-3-22(4-6-24)23-12-15-31(16-13-23)14-9-20-10-17-32(18-11-20)27(33)8-2-21-1-7-25(29)26(30)19-21/h1-8,19-20,23H,9-18H2/b8-2+
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| InChIKey |
PFJTWZUXOGDMOI-KRXBUXKQSA-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