General Information of the Compound
| Compound ID |
CP0274631
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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-methoxyethyl)urea
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| Structure |
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| Formula |
C31H38N8O3
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| Molecular Weight |
570.698
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| Canonical SMILES |
COCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C31H38N8O3/c1-41-18-13-32-31(40)34-25-9-7-24(8-10-25)28-35-29(38-16-19-42-20-17-38)27-21-33-39(30(27)36-28)26-11-14-37(15-12-26)22-23-5-3-2-4-6-23/h2-10,21,26H,11-20,22H2,1H3,(H2,32,34,40)
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| InChIKey |
VTPBQPROVPRKLB-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