General Information of the Compound
| Compound ID |
CP0342063
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| Compound Name |
5-(3-thienyl)-3-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)thiophene-2-carboxamide
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| Structure |
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| Formula |
C16H11F3N2O3S3
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| Molecular Weight |
432.47
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| Canonical SMILES |
NC(=O)c1sc(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccsc1
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| InChI |
InChI=1S/C16H11F3N2O3S3/c17-16(18,19)10-1-3-11(4-2-10)27(23,24)21-12-7-13(9-5-6-25-8-9)26-14(12)15(20)22/h1-8,21H,(H2,20,22)
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| InChIKey |
BQZOJRKIOQHISH-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3