General Information of the Compound
| Compound ID |
CP0507608
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| Compound Name |
5-[[1-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one
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| Formula |
C24H22ClF2N5O2
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| Molecular Weight |
485.922
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| Canonical SMILES |
OC1(Cn2cnc3n(ncc3c2=O)-c2ccc(F)cc2)CCN(Cc2ccc(F)cc2Cl)CC1
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| InChI |
InChI=1S/C24H22ClF2N5O2/c25-21-11-18(27)2-1-16(21)13-30-9-7-24(34,8-10-30)14-31-15-28-22-20(23(31)33)12-29-32(22)19-5-3-17(26)4-6-19/h1-6,11-12,15,34H,7-10,13-14H2
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| InChIKey |
NENZYLXWRRYHCQ-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