General Information of the Compound
| Compound ID |
CP0059282
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| Compound Name |
(E)-3-[4-(4-chlorophenyl)phenyl]-N-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H29ClN2O
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| Molecular Weight |
445.006
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| Canonical SMILES |
CN(C(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H29ClN2O/c1-30(27-16-7-23(8-17-27)21-31-19-3-2-4-20-31)28(32)18-9-22-5-10-24(11-6-22)25-12-14-26(29)15-13-25/h5-18H,2-4,19-21H2,1H3/b18-9+
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| InChIKey |
BEWRGASHJMEIJG-GIJQJNRQSA-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