General Information of the Compound
| Compound ID |
CP0820599
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| Compound Name |
2-(5-isobutyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc4C3)c2CC(C)C)n1
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| InChI |
InChI=1S/C22H25N5O2/c1-14(2)10-19-18(12-23-27(19)22-24-15(3)11-20(28)25-22)21(29)26-9-8-16-6-4-5-7-17(16)13-26/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,24,25,28)
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| InChIKey |
UDHIMUYNTSNSBW-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