General Information of the Compound
| Compound ID |
CP0418349
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| Compound Name |
[5-[2-(2,3-difluorophenyl)ethyl]-7-methoxypyrazolo[1,5-a]pyrimidin-2-yl]methanol
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| Structure |
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| Formula |
C16H15F2N3O2
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| Molecular Weight |
319.311
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| Canonical SMILES |
COc1cc(CCc2cccc(F)c2F)nc2cc(CO)nn12
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| InChI |
InChI=1S/C16H15F2N3O2/c1-23-15-8-11(19-14-7-12(9-22)20-21(14)15)6-5-10-3-2-4-13(17)16(10)18/h2-4,7-8,22H,5-6,9H2,1H3
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| InChIKey |
XXBSEFPMGLRJQN-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