General Information of the Compound
| Compound ID |
CP0464115
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| Compound Name |
(E)-1-(4-((4-(4-chlorophenyl)piperidin-1-yl)methyl)piperidin-1-yl)-3-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C27H30ClF3N2O
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| Molecular Weight |
490.997
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| Canonical SMILES |
FC(F)(F)c1cccc(\C=C\C(=O)N2CCC(CN3CCC(CC3)c3ccc(Cl)cc3)CC2)c1
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| InChI |
InChI=1S/C27H30ClF3N2O/c28-25-7-5-22(6-8-25)23-12-14-32(15-13-23)19-21-10-16-33(17-11-21)26(34)9-4-20-2-1-3-24(18-20)27(29,30)31/h1-9,18,21,23H,10-17,19H2/b9-4+
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| InChIKey |
GTUPCEXXRKONRA-RUDMXATFSA-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