General Information of the Compound
| Compound ID |
CP0036042
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| Compound Name |
N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C29H32F2N2O2
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| Molecular Weight |
478.583
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| Canonical SMILES |
CC(C)C(=O)Nc1cc(ccc1C)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
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| InChI |
InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-28-16-23(7-4-20(28)3)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-26(30)27(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34)
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| InChIKey |
ZYUVYNFTIYISBW-UHFFFAOYSA-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