General Information of the Compound
| Compound ID |
CP0286920
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| Compound Name |
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C33H30N8
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| Molecular Weight |
538.659
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| Canonical SMILES |
Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2ccccn2)CC1
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| InChI |
InChI=1S/C33H30N8/c34-32-29-20-39-41(33(29)38-22-37-32)27-13-16-40(17-14-27)21-23-9-11-25(12-10-23)31-28(24-6-2-1-3-7-24)18-26(19-36-31)30-8-4-5-15-35-30/h1-12,15,18-20,22,27H,13-14,16-17,21H2,(H2,34,37,38)
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| InChIKey |
GJTDWTDYXNLZFY-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