General Information of the Compound
| Compound ID |
CP0478996
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| Compound Name |
4-methoxy-6-methyl-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C20H22N6O3
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| Molecular Weight |
394.435
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| Canonical SMILES |
COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C(N)=O
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| InChI |
InChI=1S/C20H22N6O3/c1-11(2)26-10-22-25-19(26)15-6-5-7-17(23-15)24-20(28)14-9-13(18(21)27)12(3)8-16(14)29-4/h5-11H,1-4H3,(H2,21,27)(H,23,24,28)
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| InChIKey |
YCLQOUREVYZOFQ-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