General Information of the Compound
| Compound ID |
CP0954650
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| Compound Name |
6-(4-methoxyphenyl)-5-((4-(methylamino)-1,3,5-triazin-2-yl)amino)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Structure |
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| Formula |
C29H24N8O2
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| Molecular Weight |
516.565
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| Canonical SMILES |
CNc1ncnc(Nc2[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c(=O)c2-c2ccc(OC)cc2)n1
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| InChI |
InChI=1S/C29H24N8O2/c1-30-28-31-17-32-29(35-28)34-25-23(19-13-15-21(39-2)16-14-19)27(38)37-26(33-25)22(18-9-5-3-6-10-18)24(36-37)20-11-7-4-8-12-20/h3-17,33H,1-2H3,(H2,30,31,32,34,35)
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| InChIKey |
BYSOZLPJBPNBRC-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