General Information of the Compound
| Compound ID |
CP0490395
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| Compound Name |
(E)-3-(3,4-dichlorophenyl)-1-(4-((4-(3-methoxyphenyl)piperidin-1-yl)methyl)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C27H32Cl2N2O2
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| Molecular Weight |
487.471
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| Canonical SMILES |
COc1cccc(c1)C1CCN(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H32Cl2N2O2/c1-33-24-4-2-3-23(18-24)22-11-13-30(14-12-22)19-21-9-15-31(16-10-21)27(32)8-6-20-5-7-25(28)26(29)17-20/h2-8,17-18,21-22H,9-16,19H2,1H3/b8-6+
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| InChIKey |
YOCTWKPPDOTNOP-SOFGYWHQSA-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