General Information of the Compound
Compound ID |
CP0555049
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Compound Name |
2-(2,5-difluorophenyl)-1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone
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Structure |
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Formula |
C26H22F2N4O3
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Molecular Weight |
476.483
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Canonical SMILES |
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c2cc1OC
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InChI |
InChI=1S/C26H22F2N4O3/c1-34-23-12-19-21(13-24(23)35-2)29-14-30-26(19)31-18-4-6-22-15(10-18)7-8-32(22)25(33)11-16-9-17(27)3-5-20(16)28/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,29,30,31)
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InChIKey |
IONZSURPPXELNI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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