General Information of the Compound
| Compound ID |
CP0513658
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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-ethylurea
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| Structure |
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| Formula |
C22H27N7O2
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| Molecular Weight |
421.505
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC)c2n1
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| InChI |
InChI=1S/C22H27N7O2/c1-3-23-22(30)25-15-7-5-14(6-8-15)19-26-20(18-11-24-29(4-2)21(18)27-19)28-12-16-9-10-17(13-28)31-16/h5-8,11,16-17H,3-4,9-10,12-13H2,1-2H3,(H2,23,25,30)
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| InChIKey |
DZCKHQBHPTXSEC-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