General Information of the Compound
| Compound ID |
CP0254706
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| Compound Name |
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)urea
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| Structure |
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| Formula |
C32H39N9O2
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| Molecular Weight |
581.725
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C32H39N9O2/c1-3-41-31-28(18-33-41)30(40-20-26-12-13-27(21-40)43-26)36-29(37-31)23-6-10-25(11-7-23)35-32(42)34-24-8-4-22(5-9-24)19-39-16-14-38(2)15-17-39/h4-11,18,26-27H,3,12-17,19-21H2,1-2H3,(H2,34,35,42)
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| InChIKey |
FTRSKAKWKUDZKU-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