General Information of the Compound
| Compound ID |
CP0393075
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| Compound Name |
(E)-3-(4-bromophenyl)-1-(4-((4-(4-chlorophenyl)piperidin-1-yl)methyl)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H30BrClN2O
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| Molecular Weight |
501.896
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CC2CCN(CC2)C(=O)\C=C\c2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C26H30BrClN2O/c27-24-6-1-20(2-7-24)3-10-26(31)30-17-11-21(12-18-30)19-29-15-13-23(14-16-29)22-4-8-25(28)9-5-22/h1-10,21,23H,11-19H2/b10-3+
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| InChIKey |
SVKHPURJFBRJLV-XCVCLJGOSA-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