General Information of the Compound
| Compound ID |
CP0189087
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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-(dimethylamino)ethoxy)phenyl)urea
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| Structure |
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| Formula |
C30H36N8O3
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| Molecular Weight |
556.671
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C30H36N8O3/c1-4-38-29-26(17-31-38)28(37-18-24-13-14-25(19-37)41-24)34-27(35-29)20-5-7-21(8-6-20)32-30(39)33-22-9-11-23(12-10-22)40-16-15-36(2)3/h5-12,17,24-25H,4,13-16,18-19H2,1-3H3,(H2,32,33,39)
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| InChIKey |
PZMZFBMKDSXMES-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