General Information of the Compound
Compound ID |
CP0948249
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Compound Name |
5-methyl-3-phenyl-2-(1H-pyrazol-3-yl)-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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Formula |
C25H18N6O
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Molecular Weight |
418.46
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Canonical SMILES |
Cc1[nH]c2c(-c3ccccc3)c(-c3cc[nH]n3)nn2c(=O)c1-c1ccc2ncccc2c1
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InChI |
InChI=1S/C25H18N6O/c1-15-21(18-9-10-19-17(14-18)8-5-12-26-19)25(32)31-24(28-15)22(16-6-3-2-4-7-16)23(30-31)20-11-13-27-29-20/h2-14,28H,1H3,(H,27,29)
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InChIKey |
GWSLXAHXUZNURL-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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