General Information of the Compound
| Compound ID |
CP0303258
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| Compound Name |
1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(1H-indol-3-yl)ethanone
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| Structure |
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| Formula |
C28H25N5O3
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| Molecular Weight |
479.54
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3c[nH]c4ccccc34)c2cc1OC
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| InChI |
InChI=1S/C28H25N5O3/c1-35-25-13-21-23(14-26(25)36-2)30-16-31-28(21)32-19-7-8-24-17(11-19)9-10-33(24)27(34)12-18-15-29-22-6-4-3-5-20(18)22/h3-8,11,13-16,29H,9-10,12H2,1-2H3,(H,30,31,32)
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| InChIKey |
ATJJFEIBMCHMAP-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