General Information of the Compound
| Compound ID |
CP0169519
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| Compound Name |
1-[1-({4-[3-phenyl-5-(1,3-thiazol-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 |
C31H28N8S
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| Molecular Weight |
544.688
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| Canonical SMILES |
Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nccs2)CC1
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| InChI |
InChI=1S/C31H28N8S/c32-29-27-18-37-39(30(27)36-20-35-29)25-10-13-38(14-11-25)19-21-6-8-23(9-7-21)28-26(22-4-2-1-3-5-22)16-24(17-34-28)31-33-12-15-40-31/h1-9,12,15-18,20,25H,10-11,13-14,19H2,(H2,32,35,36)
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| InChIKey |
UNXZSCKLZOHNNN-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