General Information of the Compound
| Compound ID |
CP0464117
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| Compound Name |
(E)-3-(4-fluorophenyl)-N-(5-(4-(4-methoxyphenyl)piperidin-1-yl)pentyl)acrylamide
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| Structure |
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| Formula |
C26H33FN2O2
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| Molecular Weight |
424.56
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| Canonical SMILES |
COc1ccc(cc1)C1CCN(CCCCCNC(=O)\C=C\c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C26H33FN2O2/c1-31-25-12-8-22(9-13-25)23-15-19-29(20-16-23)18-4-2-3-17-28-26(30)14-7-21-5-10-24(27)11-6-21/h5-14,23H,2-4,15-20H2,1H3,(H,28,30)/b14-7+
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| InChIKey |
CXNIDAVJRCRYMC-VGOFMYFVSA-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