General Information of the Compound
| Compound ID |
CP0963551
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| Compound Name |
3-(5,6-dihydro-2H-pyran-3-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C25H23N3O3
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| Molecular Weight |
413.477
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| Canonical SMILES |
COc1ccc(-c2c(C)[nH]c3c(C4=CCCOC4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C25H23N3O3/c1-16-21(17-10-12-20(30-2)13-11-17)25(29)28-24(26-16)22(19-9-6-14-31-15-19)23(27-28)18-7-4-3-5-8-18/h3-5,7-13,26H,6,14-15H2,1-2H3
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| InChIKey |
IUKLOMDGEOAZHS-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