General Information of the Compound
| Compound ID |
CP0954182
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| Compound Name |
5-((3-hydroxypyrazin-2-yl)amino)-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Structure |
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| Formula |
C29H22N6O3
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| Molecular Weight |
502.534
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| Canonical SMILES |
COc1ccc(-c2c(Nc3nccnc3O)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C29H22N6O3/c1-38-21-14-12-19(13-15-21)23-25(32-26-28(36)31-17-16-30-26)33-27-22(18-8-4-2-5-9-18)24(34-35(27)29(23)37)20-10-6-3-7-11-20/h2-17,33H,1H3,(H,30,32)(H,31,36)
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| InChIKey |
UHFFCWKMGJSIJM-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