General Information of the Compound
| Compound ID |
CP0963550
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| Compound Name |
3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C26H25N3O2
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| Molecular Weight |
411.505
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| Canonical SMILES |
COc1ccc(-c2c(C)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C26H25N3O2/c1-17-22(19-13-15-21(31-2)16-14-19)26(30)29-25(27-17)23(18-9-5-3-6-10-18)24(28-29)20-11-7-4-8-12-20/h4,7-9,11-16,27H,3,5-6,10H2,1-2H3
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| InChIKey |
ZHNMTNRIYSSSJS-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