General Information of the Compound
| Compound ID |
CP0537543
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| Compound Name |
methyl 3-[4-(2-aminobenzoyl)triazol-1-yl]benzoate
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| Structure |
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| Formula |
C17H14N4O3
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| Molecular Weight |
322.324
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| Canonical SMILES |
COC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
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| InChI |
InChI=1S/C17H14N4O3/c1-24-17(23)11-5-4-6-12(9-11)21-10-15(19-20-21)16(22)13-7-2-3-8-14(13)18/h2-10H,18H2,1H3
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| InChIKey |
KLIYPADIEDQSSM-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