General Information of the Compound
| Compound ID |
CP0942331
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| Compound Name |
6-(4-methoxyphenyl)-2-phenyl-3-(piperidin-1-yl)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C29H28N6O2
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| Molecular Weight |
492.583
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| Canonical SMILES |
COc1ccc(-c2c(Nc3ccccn3)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C29H28N6O2/c1-37-22-15-13-20(14-16-22)24-27(31-23-12-6-7-17-30-23)32-28-26(34-18-8-3-9-19-34)25(33-35(28)29(24)36)21-10-4-2-5-11-21/h2,4-7,10-17,32H,3,8-9,18-19H2,1H3,(H,30,31)
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| InChIKey |
ZWVITWUXPFCJNY-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