General Information of the Compound
| Compound ID |
CP0968280
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| Compound Name |
5-(6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-ylamino)pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C30H21N7O2
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| Molecular Weight |
511.545
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| Canonical SMILES |
COc1ccc(-c2c(Nc3cnc(C#N)cn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C30H21N7O2/c1-39-23-14-12-20(13-15-23)26-28(34-24-18-32-22(16-31)17-33-24)35-29-25(19-8-4-2-5-9-19)27(36-37(29)30(26)38)21-10-6-3-7-11-21/h2-15,17-18,35H,1H3,(H,33,34)
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| InChIKey |
BUOPTNPRXJKXOY-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