General Information of the Compound
| Compound ID |
CP0563491
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| Compound Name |
1-[5-[3-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
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| Structure |
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| Formula |
C20H22N6O2
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| Molecular Weight |
378.436
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| Canonical SMILES |
CC(=O)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C20H22N6O2/c1-12-6-15(16-9-21-25(3)10-16)7-18(22-12)14-4-5-26(11-14)20(28)19-8-17(13(2)27)23-24-19/h6-10,14H,4-5,11H2,1-3H3,(H,23,24)
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| InChIKey |
DXTOTRNBQCJEMI-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