General Information of the Compound
| Compound ID |
CP0103992
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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-((dimethylamino)methyl)phenyl)urea
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| Structure |
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| Formula |
C29H34N8O2
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| Molecular Weight |
526.645
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN(C)C)cc2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C29H34N8O2/c1-4-37-28-25(15-30-37)27(36-17-23-13-14-24(18-36)39-23)33-26(34-28)20-7-11-22(12-8-20)32-29(38)31-21-9-5-19(6-10-21)16-35(2)3/h5-12,15,23-24H,4,13-14,16-18H2,1-3H3,(H2,31,32,38)
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| InChIKey |
XHNJXQFICQUYRG-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