General Information of the Compound
| Compound ID |
CP0153657
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| Compound Name |
N-[[3-[(3-chlorophenyl)methyl-(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]-4-fluoro-N-[3-(2-piperidin-1-ylethoxy)phenyl]benzamide
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| Structure |
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| Formula |
C36H40Cl4FN3O3
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| Molecular Weight |
723.544
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N(CC1CCCC(C1)N(Cc1cccc(Cl)c1)C(=O)C(Cl)(Cl)Cl)c1cccc(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C36H40Cl4FN3O3/c37-29-9-4-7-26(21-29)25-44(35(46)36(38,39)40)31-10-5-8-27(22-31)24-43(34(45)28-13-15-30(41)16-14-28)32-11-6-12-33(23-32)47-20-19-42-17-2-1-3-18-42/h4,6-7,9,11-16,21,23,27,31H,1-3,5,8,10,17-20,22,24-25H2
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| InChIKey |
YWSRNMSVJIDYNV-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