General Information of the Compound
| Compound ID |
CP0511194
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| Compound Name |
methyl 4-[[2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
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| Structure |
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| Formula |
C24H21F3N2O5S
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| Molecular Weight |
506.502
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C24H21F3N2O5S/c1-16-6-12-21(13-7-16)35(32,33)29(20-5-3-4-18(14-20)24(25,26)27)15-22(30)28-19-10-8-17(9-11-19)23(31)34-2/h3-14H,15H2,1-2H3,(H,28,30)
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| InChIKey |
XBCZCPRHLGRFQR-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