General Information of the Compound
| Compound ID |
CP0533666
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| Compound Name |
[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
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| Structure |
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| Formula |
C15H13F3N4O2S2
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| Molecular Weight |
402.423
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)C(F)(F)F
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| InChI |
InChI=1S/C15H13F3N4O2S2/c1-22-8-10(6-21-22)9-2-11(15(16,17)18)4-12(3-9)26(23,24)14-7-20-13(5-19)25-14/h2-4,6-8H,5,19H2,1H3
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| InChIKey |
IQIWKCYISJDHLG-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