General Information of the Compound
| Compound ID |
CP0726249
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| Compound Name |
2-(4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-isobutyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
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| Structure |
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| Formula |
C19H27N5O2
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| Molecular Weight |
357.458
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C)(C)C3)c2CC(C)C)n1
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| InChI |
InChI=1S/C19H27N5O2/c1-12(2)8-15-14(17(26)23-7-6-19(4,5)11-23)10-20-24(15)18-21-13(3)9-16(25)22-18/h9-10,12H,6-8,11H2,1-5H3,(H,21,22,25)
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| InChIKey |
NOXHKAWGPPZWGR-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