General Information of the Compound
| Compound ID |
CP0424988
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| Compound Name |
2-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzonitrile
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| Formula |
C25H23FN6O2
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| Molecular Weight |
458.497
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| Canonical SMILES |
OC1(Cn2cnc3n(ncc3c2=O)-c2ccc(F)cc2)CCN(Cc2ccccc2C#N)CC1
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| InChI |
InChI=1S/C25H23FN6O2/c26-20-5-7-21(8-6-20)32-23-22(14-29-32)24(33)31(17-28-23)16-25(34)9-11-30(12-10-25)15-19-4-2-1-3-18(19)13-27/h1-8,14,17,34H,9-12,15-16H2
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| InChIKey |
OSVILGAVIAAWSJ-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