General Information of the Compound
| Compound ID |
CP0963650
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| Compound Name |
N1-(thiazol-2-yl)-N4-(4-(trifluoromethyl)benzyl)benzene-1,4-disulfonamide
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| Structure |
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| Formula |
C17H14F3N3O4S3
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| Molecular Weight |
477.511
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| Canonical SMILES |
O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
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| InChI |
InChI=1S/C17H14F3N3O4S3/c18-17(19,20)13-3-1-12(2-4-13)11-22-29(24,25)14-5-7-15(8-6-14)30(26,27)23-16-21-9-10-28-16/h1-10,22H,11H2,(H,21,23)
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| InChIKey |
IQDJXHOSQZUSCB-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