General Information of the Compound
| Compound ID |
CP0820601
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| Compound Name |
2-(4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
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| Structure |
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| Formula |
C16H21N5O2
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| Molecular Weight |
315.377
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C)(C)C3)c2C)n1
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| InChI |
InChI=1S/C16H21N5O2/c1-10-7-13(22)19-15(18-10)21-11(2)12(8-17-21)14(23)20-6-5-16(3,4)9-20/h7-8H,5-6,9H2,1-4H3,(H,18,19,22)
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| InChIKey |
HOQZRTMRWIOMEJ-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