General Information of the Compound
| Compound ID |
CP0761049
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| Compound Name |
5,6-dimethyl-2-(5-methyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C20H21N5O2
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| Molecular Weight |
363.421
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| Canonical SMILES |
Cc1nc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2C)[nH]c(=O)c1C
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| InChI |
InChI=1S/C20H21N5O2/c1-12-13(2)22-20(23-18(12)26)25-14(3)17(10-21-25)19(27)24-9-8-15-6-4-5-7-16(15)11-24/h4-7,10H,8-9,11H2,1-3H3,(H,22,23,26)
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| InChIKey |
IFNCCPKDSYXQMS-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