General Information of the Compound
| Compound ID |
CP0189089
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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-(2,2-dimethylhydrazinecarbonyl)phenyl)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(cc2)C(=O)NN(C)C)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C29H33N9O3/c1-4-38-27-24(15-30-38)26(37-16-22-13-14-23(17-37)41-22)33-25(34-27)18-5-9-20(10-6-18)31-29(40)32-21-11-7-19(8-12-21)28(39)35-36(2)3/h5-12,15,22-23H,4,13-14,16-17H2,1-3H3,(H,35,39)(H2,31,32,40)
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| InChIKey |
UDAWZLGMHSEQAG-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