General Information of the Compound
| Compound ID |
CP0957419
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| Compound Name |
6-Trifluoromethyl-pyridine-3-sulfonic acid(6-trifluoromethoxy-quinolin-8-yl)-amide
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| Structure |
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| Formula |
C16H9F6N3O3S
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| Molecular Weight |
437.321
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| Canonical SMILES |
O=S(=O)(Nc1cc(OC(F)(F)F)cc2cccnc12)c1ccc(C(F)(F)F)nc1
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| InChI |
InChI=1S/C16H9F6N3O3S/c17-15(18,19)13-4-3-11(8-24-13)29(26,27)25-12-7-10(28-16(20,21)22)6-9-2-1-5-23-14(9)12/h1-8,25H
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| InChIKey |
LFURKZQZDVBNAI-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