General Information of the Compound
| Compound ID |
CP0174802
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| Compound Name |
2-(1-benzofuran-3-yl)-1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone
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| Structure |
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| Formula |
C28H24N4O4
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| Molecular Weight |
480.524
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3coc4ccccc34)c2cc1OC
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| InChI |
InChI=1S/C28H24N4O4/c1-34-25-13-21-22(14-26(25)35-2)29-16-30-28(21)31-19-7-8-23-17(11-19)9-10-32(23)27(33)12-18-15-36-24-6-4-3-5-20(18)24/h3-8,11,13-16H,9-10,12H2,1-2H3,(H,29,30,31)
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| InChIKey |
LOFNDKCGRSQGFU-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