General Information of the Compound
| Compound ID |
CP0359466
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| Compound Name |
1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C24H26N6O
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| Molecular Weight |
414.513
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
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| InChI |
InChI=1S/C24H26N6O/c1-17-7-8-22(18(2)13-17)30-24-21(15-27-30)23(25-16-26-24)29-11-9-28(10-12-29)19-5-4-6-20(14-19)31-3/h4-8,13-16H,9-12H2,1-3H3
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| InChIKey |
YMQFPOICRLHPSY-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8