General Information of the Compound
| Compound ID |
CP0954654
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| Compound Name |
3-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C30H22ClN5O2
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| Molecular Weight |
519.992
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| Canonical SMILES |
COc1ccc(-c2c(Nc3ccccn3)[nH]c3c(-c4cccc(Cl)c4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C30H22ClN5O2/c1-38-23-15-13-19(14-16-23)26-28(33-24-12-5-6-17-32-24)34-29-25(21-10-7-11-22(31)18-21)27(35-36(29)30(26)37)20-8-3-2-4-9-20/h2-18,34H,1H3,(H,32,33)
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| InChIKey |
PFHOGSZTNONTDK-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