General Information of the Compound
| Compound ID |
CP0955183
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| Compound Name |
5-((2H-1,2,3-triazol-4-yl)amino)-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C27H21N7O2
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| Molecular Weight |
475.512
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| Canonical SMILES |
COc1ccc(-c2c(Nc3cn[nH]n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C27H21N7O2/c1-36-20-14-12-18(13-15-20)23-25(29-21-16-28-33-31-21)30-26-22(17-8-4-2-5-9-17)24(32-34(26)27(23)35)19-10-6-3-7-11-19/h2-16,30H,1H3,(H2,28,29,31,33)
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| InChIKey |
PMIWRYGFIJWHJB-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