General Information of the Compound
| Compound ID |
CP0420736
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| Compound Name |
N-[3-chloro-4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C25H24ClF3N2O3S
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| Molecular Weight |
524.992
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NCCc3ccc(cc3)C(F)(F)F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C25H24ClF3N2O3S/c1-2-35(33,34)21-10-5-18(6-11-21)15-24(32)31-20-9-12-23(22(26)16-20)30-14-13-17-3-7-19(8-4-17)25(27,28)29/h3-12,16,30H,2,13-15H2,1H3,(H,31,32)
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| InChIKey |
WIKIALYFPNHYJC-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