General Information of the Compound
| Compound ID |
CP0042235
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| Compound Name |
3-isopropyl-5-(2-(trifluoromethoxy)benzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C16H15F3N4O2
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| Molecular Weight |
352.316
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| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(Cc1ccccc1OC(F)(F)F)[nH]c2=O
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| InChI |
InChI=1S/C16H15F3N4O2/c1-8(2)12-13-14(23-22-12)15(24)21-11(20-13)7-9-5-3-4-6-10(9)25-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,22,23)(H,20,21,24)
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| InChIKey |
RCKCFOKBILAFJF-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