General Information of the Compound
| Compound ID |
CP0179373
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| Compound Name |
N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)-8-oxo-7H-purin-9-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H25N7O4
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| Molecular Weight |
487.52
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2[nH]c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCOCC1
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| InChI |
InChI=1S/C25H25N7O4/c1-3-22(33)27-16-5-4-6-18(13-16)32-23-20(29-25(32)34)15-26-24(30-23)28-19-8-7-17(14-21(19)35-2)31-9-11-36-12-10-31/h3-8,13-15H,1,9-12H2,2H3,(H,27,33)(H,29,34)(H,26,28,30)
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| InChIKey |
OAAMRYWOMUCGPB-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