General Information of the Compound
| Compound ID |
CP0103989
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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-phenylurea
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| Structure |
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| Formula |
C26H27N7O2
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| Molecular Weight |
469.549
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C26H27N7O2/c1-2-33-25-22(14-27-33)24(32-15-20-12-13-21(16-32)35-20)30-23(31-25)17-8-10-19(11-9-17)29-26(34)28-18-6-4-3-5-7-18/h3-11,14,20-21H,2,12-13,15-16H2,1H3,(H2,28,29,34)
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| InChIKey |
ADCADUHNSKXDGZ-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