General Information of the Compound
| Compound ID |
CP0563379
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| Compound Name |
N-[2-[1-(2-hydroxyethyl)triazol-4-yl]-5-methylphenyl]-4-oxochromene-2-carboxamide
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| Formula |
C21H18N4O4
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| Molecular Weight |
390.399
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| Canonical SMILES |
Cc1ccc(-c2cn(CCO)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
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| InChI |
InChI=1S/C21H18N4O4/c1-13-6-7-14(17-12-25(8-9-26)24-23-17)16(10-13)22-21(28)20-11-18(27)15-4-2-3-5-19(15)29-20/h2-7,10-12,26H,8-9H2,1H3,(H,22,28)
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| InChIKey |
HEFNHXKKVLWDIS-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