General Information of the Compound
| Compound ID |
CP0458643
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| Compound Name |
(E)-1-(4-((4-(4-chlorophenyl)piperidin-1-yl)methyl)piperidin-1-yl)-3-(3,4-difluorophenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H29ClF2N2O
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| Molecular Weight |
458.98
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| Canonical SMILES |
Fc1ccc(\C=C\C(=O)N2CCC(CN3CCC(CC3)c3ccc(Cl)cc3)CC2)cc1F
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| InChI |
InChI=1S/C26H29ClF2N2O/c27-23-5-3-21(4-6-23)22-11-13-30(14-12-22)18-20-9-15-31(16-10-20)26(32)8-2-19-1-7-24(28)25(29)17-19/h1-8,17,20,22H,9-16,18H2/b8-2+
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| InChIKey |
GJEHEIJDJXOGKI-KRXBUXKQSA-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