General Information of the Compound
| Compound ID |
CP0578712
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| Compound Name |
ethyl 2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C19H19F3N2O2S2
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| Molecular Weight |
428.501
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| Canonical SMILES |
CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N2O2S2/c1-2-26-17(25)15-13-5-3-4-6-14(13)28-16(15)24-18(27)23-12-9-7-11(8-10-12)19(20,21)22/h7-10H,2-6H2,1H3,(H2,23,24,27)
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| InChIKey |
NQFCPRFENTZVDH-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