General Information of the Compound
| Compound ID |
CP0058682
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| Compound Name |
2-[(4-fluorophenyl)methoxy]-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C25H22FN3O6
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| Molecular Weight |
479.464
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC
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| InChI |
InChI=1S/C25H22FN3O6/c1-32-7-8-34-24-11-18-17(9-23(24)33-2)25(28-14-27-18)29-19-10-21(31)22(12-20(19)30)35-13-15-3-5-16(26)6-4-15/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,27,28,29)
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| InChIKey |
UGFSMYYKVIDJFS-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