General Information of the Compound
| Compound ID |
CP0037741
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| Compound Name |
1-[1-({4-[3-phenyl-5-(pyrimidin-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 |
C32H29N9
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| Molecular Weight |
539.647
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| Canonical SMILES |
Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2ncccn2)CC1
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| InChI |
InChI=1S/C32H29N9/c33-30-28-19-39-41(32(28)38-21-37-30)26-11-15-40(16-12-26)20-22-7-9-24(10-8-22)29-27(23-5-2-1-3-6-23)17-25(18-36-29)31-34-13-4-14-35-31/h1-10,13-14,17-19,21,26H,11-12,15-16,20H2,(H2,33,37,38)
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| InChIKey |
XXODKQJLCQAKIT-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