General Information of the Compound
| Compound ID |
CP0261098
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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-((2-(dimethylamino)ethyl)(methyl)amino)phenyl)urea
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| Structure |
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| Formula |
C31H39N9O2
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| Molecular Weight |
569.714
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N(C)CCN(C)C)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C31H39N9O2/c1-5-40-30-27(18-32-40)29(39-19-25-14-15-26(20-39)42-25)35-28(36-30)21-6-8-22(9-7-21)33-31(41)34-23-10-12-24(13-11-23)38(4)17-16-37(2)3/h6-13,18,25-26H,5,14-17,19-20H2,1-4H3,(H2,33,34,41)
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| InChIKey |
KKONFQGHFMWUNZ-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