General Information of the Compound
| Compound ID |
CP0271008
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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-phenylurea
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| Structure |
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| Formula |
C34H36N8O2
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| Molecular Weight |
588.716
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C34H36N8O2/c43-34(36-27-9-5-2-6-10-27)37-28-13-11-26(12-14-28)31-38-32(41-19-21-44-22-20-41)30-23-35-42(33(30)39-31)29-15-17-40(18-16-29)24-25-7-3-1-4-8-25/h1-14,23,29H,15-22,24H2,(H2,36,37,43)
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| InChIKey |
PLQOKDSGXCSTPR-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