General Information of the Compound
| Compound ID |
CP0438709
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| Compound Name |
1-(4-chlorobenzyl)-4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C22H21ClN6
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| Molecular Weight |
404.905
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| Canonical SMILES |
Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C22H21ClN6/c23-18-8-6-17(7-9-18)15-29-22-20(14-26-29)21(24-16-25-22)28-12-10-27(11-13-28)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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| InChIKey |
UKHXPLGNOGAENT-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: PT03308, G-protein coupled receptor 35
Protein ID: PT06124, Paired box protein Pax-8