General Information of the Compound
| Compound ID |
CP0502737
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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-(methylamino)pyridin-3-yl)urea
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| Structure |
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| Formula |
C26H29N9O2
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| Molecular Weight |
499.579
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(NC)nc2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C26H29N9O2/c1-3-35-25-21(13-29-35)24(34-14-19-9-10-20(15-34)37-19)32-23(33-25)16-4-6-17(7-5-16)30-26(36)31-18-8-11-22(27-2)28-12-18/h4-8,11-13,19-20H,3,9-10,14-15H2,1-2H3,(H,27,28)(H2,30,31,36)
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| InChIKey |
ARKRGLDVMPXTLI-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