General Information of the Compound
| Compound ID |
CP0502342
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| Compound Name |
4-Methyl-5-[2-(3-trifluoromethyl-phenylamino)-phenyl]-4H-[1,2,4]triazole-3-thiol
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| Structure |
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| Formula |
C16H13F3N4S
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| Molecular Weight |
350.369
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| Canonical SMILES |
Cn1c(n[nH]c1=S)-c1ccccc1Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H13F3N4S/c1-23-14(21-22-15(23)24)12-7-2-3-8-13(12)20-11-6-4-5-10(9-11)16(17,18)19/h2-9,20H,1H3,(H,22,24)
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| InChIKey |
OTVUMULVNMAVEX-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