General Information of the Compound
| Compound ID |
CP0315898
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| Compound Name |
1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-[2-(dimethylamino)ethyl]urea
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| Structure |
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| Formula |
C32H41N9O2
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| Molecular Weight |
583.741
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| Canonical SMILES |
CN(C)CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C32H41N9O2/c1-38(2)17-14-33-32(42)35-26-10-8-25(9-11-26)29-36-30(40-18-20-43-21-19-40)28-22-34-41(31(28)37-29)27-12-15-39(16-13-27)23-24-6-4-3-5-7-24/h3-11,22,27H,12-21,23H2,1-2H3,(H2,33,35,42)
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| InChIKey |
QFYNLFVPUYVLEM-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