General Information of the Compound
| Compound ID |
CP0360549
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| Compound Name |
2-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo-[3,4-d]pyrimidin-6-yl]phenyl}-N-methylacetamide
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| Structure |
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| Formula |
C30H35N7O2
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| Molecular Weight |
525.657
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| Canonical SMILES |
CNC(=O)Cc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C30H35N7O2/c1-31-27(38)19-22-7-9-24(10-8-22)28-33-29(36-15-17-39-18-16-36)26-20-32-37(30(26)34-28)25-11-13-35(14-12-25)21-23-5-3-2-4-6-23/h2-10,20,25H,11-19,21H2,1H3,(H,31,38)
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| InChIKey |
WLZGENRVUAPESL-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