General Information of the Compound
| Compound ID |
CP0439649
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| Compound Name |
N,N-dimethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
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| Structure |
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| Formula |
C12H16N4S
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| Molecular Weight |
248.355
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| Canonical SMILES |
CN(C)CCSc1nnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C12H16N4S/c1-16(2)8-9-17-12-13-11(14-15-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14,15)
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| InChIKey |
QTJLSZKUOTZZIN-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