General Information of the Compound
| Compound ID |
CP0562891
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| Compound Name |
ethyl 3-[4-(2-aminobenzoyl)triazol-1-yl]benzoate
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| Structure |
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| Formula |
C18H16N4O3
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| Molecular Weight |
336.351
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| Canonical SMILES |
CCOC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
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| InChI |
InChI=1S/C18H16N4O3/c1-2-25-18(24)12-6-5-7-13(10-12)22-11-16(20-21-22)17(23)14-8-3-4-9-15(14)19/h3-11H,2,19H2,1H3
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| InChIKey |
JSSVSAILWQCWQT-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