General Information of the Compound
| Compound ID |
CP0061906
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| Compound Name |
4-(4-morpholino-6-(4-(3-(4-(2-(pyrrolidin-1-yl)ethyl)phenyl)ureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C35H43N9O4
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| Molecular Weight |
653.788
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| Canonical SMILES |
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCCC3)cc2)cc1)N1CCOCC1
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| InChI |
InChI=1S/C35H43N9O4/c1-47-35(46)43-18-13-29(14-19-43)44-33-30(24-36-44)32(42-20-22-48-23-21-42)39-31(40-33)26-6-10-28(11-7-26)38-34(45)37-27-8-4-25(5-9-27)12-17-41-15-2-3-16-41/h4-11,24,29H,2-3,12-23H2,1H3,(H2,37,38,45)
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| InChIKey |
WGJCAXDRPIQKGH-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