General Information of the Compound
| Compound ID |
CP0713539
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| Compound Name |
6-methyl-2-(5-methyl-4-(7-(trifluoromethyl)-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 |
C20H18F3N5O2
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| Molecular Weight |
417.391
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)c2C)n1
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| InChI |
InChI=1S/C20H18F3N5O2/c1-11-7-17(29)26-19(25-11)28-12(2)16(9-24-28)18(30)27-6-5-13-3-4-15(20(21,22)23)8-14(13)10-27/h3-4,7-9H,5-6,10H2,1-2H3,(H,25,26,29)
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| InChIKey |
ROCSRMUPBBXFLH-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