General Information of the Compound
| Compound ID |
CP0551879
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| Compound Name |
(E)-1-(4-((4-(4-chlorophenyl)piperidin-1-yl)methyl)piperidin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C28H35ClN2O3
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| Molecular Weight |
483.052
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)N2CCC(CN3CCC(CC3)c3ccc(Cl)cc3)CC2)cc1OC
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| InChI |
InChI=1S/C28H35ClN2O3/c1-33-26-9-3-21(19-27(26)34-2)4-10-28(32)31-17-11-22(12-18-31)20-30-15-13-24(14-16-30)23-5-7-25(29)8-6-23/h3-10,19,22,24H,11-18,20H2,1-2H3/b10-4+
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| InChIKey |
YGFCSUMVPABUBN-ONNFQVAWSA-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