General Information of the Compound
| Compound ID |
CP0713519
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| Compound Name |
6-methyl-2-[5-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)-1H-pyrazol-1-yl]-3,4-dihydropyrimidin-4-one
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(CN3CCc4ccccc4C3)c2C)n1
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| InChI |
InChI=1S/C19H21N5O/c1-13-9-18(25)22-19(21-13)24-14(2)17(10-20-24)12-23-8-7-15-5-3-4-6-16(15)11-23/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,22,25)
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| InChIKey |
CTDZHCFCGLPMDZ-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