General Information of the Compound
| Compound ID |
CP0513813
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| Compound Name |
(E)-3-(3,4-dichlorophenyl)-1-(4-((4-(4-hydroxyphenyl)piperidin-1-yl)methyl)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H30Cl2N2O2
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| Molecular Weight |
473.444
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| Canonical SMILES |
Oc1ccc(cc1)C1CCN(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C26H30Cl2N2O2/c27-24-7-1-19(17-25(24)28)2-8-26(32)30-15-9-20(10-16-30)18-29-13-11-22(12-14-29)21-3-5-23(31)6-4-21/h1-8,17,20,22,31H,9-16,18H2/b8-2+
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| InChIKey |
OXTXXOYXEVCBGN-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