General Information of the Compound
| Compound ID |
CP0444720
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| Compound Name |
2-cyclohexyl-N-[1-[2-(2,3-difluorophenyl)acetyl]piperidin-4-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C27H32F2N2O2
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| Molecular Weight |
454.561
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| Canonical SMILES |
Fc1cccc(CC(=O)N2CCC(CC2)NC(=O)C(C2CCCCC2)c2ccccc2)c1F
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| InChI |
InChI=1S/C27H32F2N2O2/c28-23-13-7-12-21(26(23)29)18-24(32)31-16-14-22(15-17-31)30-27(33)25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1,3-4,7-9,12-13,20,22,25H,2,5-6,10-11,14-18H2,(H,30,33)
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| InChIKey |
PKCLGMGHIFKRTM-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