General Information of the Compound
| Compound ID |
CP0227759
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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-morpholinopyridin-3-yl)urea
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| Structure |
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| Formula |
C29H33N9O3
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| Molecular Weight |
555.643
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C29H33N9O3/c1-2-38-28-24(16-31-38)27(37-17-22-8-9-23(18-37)41-22)34-26(35-28)19-3-5-20(6-4-19)32-29(39)33-21-7-10-25(30-15-21)36-11-13-40-14-12-36/h3-7,10,15-16,22-23H,2,8-9,11-14,17-18H2,1H3,(H2,32,33,39)
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| InChIKey |
RCWCYHYCUNPFSO-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