General Information of the Compound
| Compound ID |
CP0735137
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| Compound Name |
2-(2,2-Difluoroethoxy)-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone
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| Structure |
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| Formula |
C20H19F2N3O6
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| Molecular Weight |
435.383
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(OCC(F)F)=CC3=O)c2cc1OC
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| InChI |
InChI=1S/C20H19F2N3O6/c1-28-3-4-30-18-7-12-11(5-17(18)29-2)20(24-10-23-12)25-13-6-15(27)16(8-14(13)26)31-9-19(21)22/h5-8,10,19H,3-4,9H2,1-2H3,(H,23,24,25)
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| InChIKey |
GPGNMTNUZNOGIB-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