General Information of the Compound
| Compound ID |
CP0868991
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| Compound Name |
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyrimidin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C29H22N6O2
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| Molecular Weight |
486.535
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| Canonical SMILES |
COc1ccc(-c2c(Nc3ncccn3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C29H22N6O2/c1-37-22-15-13-20(14-16-22)24-26(33-29-30-17-8-18-31-29)32-27-23(19-9-4-2-5-10-19)25(34-35(27)28(24)36)21-11-6-3-7-12-21/h2-18,32H,1H3,(H,30,31,33)
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| InChIKey |
VHLVRFNLUZLJPS-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