General Information of the Compound
| Compound ID |
CP0274921
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| Compound Name |
N-[[3-[(3-chlorophenyl)methyl-(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]-4-fluoro-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
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| Structure |
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| Formula |
C35H38Cl4FN3O3
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| Molecular Weight |
709.517
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N(CC1CCCC(C1)N(Cc1cccc(Cl)c1)C(=O)C(Cl)(Cl)Cl)c1cccc(OCCN2CCCC2)c1
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| InChI |
InChI=1S/C35H38Cl4FN3O3/c36-28-8-3-6-25(20-28)24-43(34(45)35(37,38)39)30-9-4-7-26(21-30)23-42(33(44)27-12-14-29(40)15-13-27)31-10-5-11-32(22-31)46-19-18-41-16-1-2-17-41/h3,5-6,8,10-15,20,22,26,30H,1-2,4,7,9,16-19,21,23-24H2
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| InChIKey |
IMQBTGWOTKESLU-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