General Information of the Compound
| Compound ID |
CP0492852
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| Compound Name |
2-(1H-Imidazol-4-yl)-N-methyl-3-(4-(trifluoromethyl)phenylthio)propane-1-amine
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| Structure |
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| Formula |
C14H16F3N3S
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| Molecular Weight |
315.364
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| Canonical SMILES |
CNCC(CSc1ccc(cc1)C(F)(F)F)c1cnc[nH]1
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| InChI |
InChI=1S/C14H16F3N3S/c1-18-6-10(13-7-19-9-20-13)8-21-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,20)
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| InChIKey |
MJFULYPEKJAFJK-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