General Information of the Compound
| Compound ID |
CP0513076
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| Compound Name |
methyl N-[3-(thiophene-2-carbonylamino)-5-(trifluoromethyl)phenyl]carbamate
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| Structure |
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| Formula |
C14H11F3N2O3S
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| Molecular Weight |
344.314
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| Canonical SMILES |
COC(=O)Nc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C14H11F3N2O3S/c1-22-13(21)19-10-6-8(14(15,16)17)5-9(7-10)18-12(20)11-3-2-4-23-11/h2-7H,1H3,(H,18,20)(H,19,21)
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| InChIKey |
NXHKYBGXKCFXET-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