General Information of the Compound
| Compound ID |
CP0245273
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| Compound Name |
4-fluoro-N-[[3-[(3-nitrophenyl)methyl-(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
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| Structure |
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| Formula |
C35H38Cl3FN4O5
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| Molecular Weight |
720.069
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| Canonical SMILES |
[O-][N+](=O)c1cccc(CN(C2CCCC(CN(C(=O)c3ccc(F)cc3)c3cccc(OCCN4CCCC4)c3)C2)C(=O)C(Cl)(Cl)Cl)c1
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| InChI |
InChI=1S/C35H38Cl3FN4O5/c36-35(37,38)34(45)42(24-26-7-4-10-31(21-26)43(46)47)29-8-3-6-25(20-29)23-41(33(44)27-12-14-28(39)15-13-27)30-9-5-11-32(22-30)48-19-18-40-16-1-2-17-40/h4-5,7,9-15,21-22,25,29H,1-3,6,8,16-20,23-24H2
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| InChIKey |
BDLIUAXYTCOMLC-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