General Information of the Compound
| Compound ID |
CP0823442
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| Compound Name |
2-(5-isopropyl-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 |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc4C3)c2C(C)C)n1
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| InChI |
InChI=1S/C21H23N5O2/c1-13(2)19-17(11-22-26(19)21-23-14(3)10-18(27)24-21)20(28)25-9-8-15-6-4-5-7-16(15)12-25/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24,27)
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| InChIKey |
BFOSGOZEKIHQOL-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