General Information of the Compound
| Compound ID |
CP0959034
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| Compound Name |
6-tert-butyl-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 |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc(C(C)(C)C)cc(=O)[nH]1
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| InChI |
InChI=1S/C22H25N5O2/c1-14-17(20(29)26-10-9-15-7-5-6-8-16(15)13-26)12-23-27(14)21-24-18(22(2,3)4)11-19(28)25-21/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,25,28)
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| InChIKey |
FBBYDPGXOJXJTA-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