General Information of the Compound
| Compound ID |
CP0275401
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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-(2-(dimethylamino)ethyl)urea
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| Structure |
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| Formula |
C24H32N8O2
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| Molecular Weight |
464.574
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCN(C)C)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C24H32N8O2/c1-4-32-23-20(13-26-32)22(31-14-18-9-10-19(15-31)34-18)28-21(29-23)16-5-7-17(8-6-16)27-24(33)25-11-12-30(2)3/h5-8,13,18-19H,4,9-12,14-15H2,1-3H3,(H2,25,27,33)
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| InChIKey |
UCGFKGIOOUVIOP-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