General Information of the Compound
| Compound ID |
CP0955181
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| Compound Name |
2-(6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-ylamino)isonicotinonitrile
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| Structure |
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| Formula |
C31H22N6O2
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| Molecular Weight |
510.557
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| Canonical SMILES |
COc1ccc(-c2c(Nc3cc(C#N)ccn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C31H22N6O2/c1-39-24-14-12-22(13-15-24)27-29(34-25-18-20(19-32)16-17-33-25)35-30-26(21-8-4-2-5-9-21)28(36-37(30)31(27)38)23-10-6-3-7-11-23/h2-18,35H,1H3,(H,33,34)
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| InChIKey |
MUCMIHAJWUYQKW-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