General Information of the Compound
| Compound ID |
CP0761054
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| Compound Name |
2-(5-(difluoromethyl)-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 |
C19H17F2N5O2
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| Molecular Weight |
385.374
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc4C3)c2C(F)F)n1
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| InChI |
InChI=1S/C19H17F2N5O2/c1-11-8-15(27)24-19(23-11)26-16(17(20)21)14(9-22-26)18(28)25-7-6-12-4-2-3-5-13(12)10-25/h2-5,8-9,17H,6-7,10H2,1H3,(H,23,24,27)
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| InChIKey |
PIVYPGULKIJMMR-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