General Information of the Compound
| Compound ID |
CP0540448
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| Compound Name |
(2-aminophenyl)-[1-(3-methylphenyl)triazol-4-yl]methanone
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| Structure |
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| Formula |
C16H14N4O
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| Molecular Weight |
278.315
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| Canonical SMILES |
Cc1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
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| InChI |
InChI=1S/C16H14N4O/c1-11-5-4-6-12(9-11)20-10-15(18-19-20)16(21)13-7-2-3-8-14(13)17/h2-10H,17H2,1H3
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| InChIKey |
HKWFWPCXDOLVLL-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