General Information of the Compound
| Compound ID |
CP0086650
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| Compound Name |
4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)ureido)-N-(pyrrolidin-1-yl)benzamide
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| Structure |
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| Formula |
C31H35N9O3
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| Molecular Weight |
581.681
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| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NN2CCCC2)cc1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C31H35N9O3/c1-2-40-29-26(17-32-40)28(38-18-24-13-14-25(19-38)43-24)35-27(36-29)20-5-9-22(10-6-20)33-31(42)34-23-11-7-21(8-12-23)30(41)37-39-15-3-4-16-39/h5-12,17,24-25H,2-4,13-16,18-19H2,1H3,(H,37,41)(H2,33,34,42)
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| InChIKey |
QWUNRYMMAGVRMS-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