General Information of the Compound
| Compound ID |
CP0378280
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| Compound Name |
(E)-N-(4-(4-(4-methoxyphenyl)piperidin-1-yl)butyl)-3-(3,4,5-trifluorophenyl)acrylamide
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| Structure |
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| Formula |
C25H29F3N2O2
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| Molecular Weight |
446.513
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| Canonical SMILES |
COc1ccc(cc1)C1CCN(CCCCNC(=O)\C=C\c2cc(F)c(F)c(F)c2)CC1
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| InChI |
InChI=1S/C25H29F3N2O2/c1-32-21-7-5-19(6-8-21)20-10-14-30(15-11-20)13-3-2-12-29-24(31)9-4-18-16-22(26)25(28)23(27)17-18/h4-9,16-17,20H,2-3,10-15H2,1H3,(H,29,31)/b9-4+
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| InChIKey |
QYJDCQSFLKLISQ-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