General Information of the Compound
| Compound ID |
CP0037486
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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-(1-methylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C34H43N9O2
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| Molecular Weight |
609.779
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C34H43N9O2/c1-40-15-11-28(12-16-40)37-34(44)36-27-9-7-26(8-10-27)31-38-32(42-19-21-45-22-20-42)30-23-35-43(33(30)39-31)29-13-17-41(18-14-29)24-25-5-3-2-4-6-25/h2-10,23,28-29H,11-22,24H2,1H3,(H2,36,37,44)
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| InChIKey |
AAHPRKDUIDQODH-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