General Information of the Compound
| Compound ID |
CP0570368
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| Compound Name |
4-(4-chlorophenyl)-2-[[5-chloro-2-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylic acid
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| Structure |
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| Formula |
C19H10Cl2F3NO3S
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| Molecular Weight |
460.26
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| Canonical SMILES |
OC(=O)c1c(NC(=O)c2cc(Cl)ccc2C(F)(F)F)scc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H10Cl2F3NO3S/c20-10-3-1-9(2-4-10)13-8-29-17(15(13)18(27)28)25-16(26)12-7-11(21)5-6-14(12)19(22,23)24/h1-8H,(H,25,26)(H,27,28)
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| InChIKey |
BJDKFWRHGDPQTH-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