General Information of the Compound
| Compound ID |
CP0457722
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| Compound Name |
(E)-3-(3,5-difluorophenyl)-N-(3-((4-(3,4-difluorophenyl)piperidin-1-yl)methyl)cyclopentyl)acrylamide
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| Structure |
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| Formula |
C26H28F4N2O
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| Molecular Weight |
460.515
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| Canonical SMILES |
Fc1cc(F)cc(\C=C\C(=O)NC2CCC(CN3CCC(CC3)c3ccc(F)c(F)c3)C2)c1
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| InChI |
InChI=1S/C26H28F4N2O/c27-21-11-17(12-22(28)15-21)2-6-26(33)31-23-4-1-18(13-23)16-32-9-7-19(8-10-32)20-3-5-24(29)25(30)14-20/h2-3,5-6,11-12,14-15,18-19,23H,1,4,7-10,13,16H2,(H,31,33)/b6-2+
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| InChIKey |
JNBDHNIJUIUTOU-QHHAFSJGSA-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