General Information of the Compound
| Compound ID |
CP0092426
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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-(6-(2-morpholinoethoxy)pyridin-3-yl)urea
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| Structure |
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| Formula |
C31H37N9O4
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| Molecular Weight |
599.696
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(OCCN3CCOCC3)nc2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C31H37N9O4/c1-2-40-30-26(18-33-40)29(39-19-24-8-9-25(20-39)44-24)36-28(37-30)21-3-5-22(6-4-21)34-31(41)35-23-7-10-27(32-17-23)43-16-13-38-11-14-42-15-12-38/h3-7,10,17-18,24-25H,2,8-9,11-16,19-20H2,1H3,(H2,34,35,41)
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| InChIKey |
LSPYTXAQSKEIJE-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