General Information of the Compound
| Compound ID |
CP0239987
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| Compound Name |
3-(1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
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| Structure |
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| Formula |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
Oc1cccc(c1)-c1nc(C2CCOCC2)c2cnn(-c3ccccc3)c2n1
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| InChI |
InChI=1S/C22H20N4O2/c27-18-8-4-5-16(13-18)21-24-20(15-9-11-28-12-10-15)19-14-23-26(22(19)25-21)17-6-2-1-3-7-17/h1-8,13-15,27H,9-12H2
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| InChIKey |
FWNNYNPGUOAOCU-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