General Information of the Compound
| Compound ID |
CP0442035
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| Compound Name |
propyl 3-[4-(2-aminobenzoyl)triazol-1-yl]benzoate
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| Structure |
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| Formula |
C19H18N4O3
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| Molecular Weight |
350.378
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| Canonical SMILES |
CCCOC(=O)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
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| InChI |
InChI=1S/C19H18N4O3/c1-2-10-26-19(25)13-6-5-7-14(11-13)23-12-17(21-22-23)18(24)15-8-3-4-9-16(15)20/h3-9,11-12H,2,10,20H2,1H3
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| InChIKey |
XPFQZUZEVIFWLX-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