General Information of the Compound
| Compound ID |
CP0907495
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| Compound Name |
3-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C20H14F3N3O2
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| Molecular Weight |
385.345
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| Canonical SMILES |
COc1ccc(-c2c(C(F)(F)F)nn3c(O)cc(-c4ccccc4)nc23)cc1
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| InChI |
InChI=1S/C20H14F3N3O2/c1-28-14-9-7-13(8-10-14)17-18(20(21,22)23)25-26-16(27)11-15(24-19(17)26)12-5-3-2-4-6-12/h2-11,27H,1H3
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| InChIKey |
OUOCWVJIQIANAH-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3