General Information of the Compound
| Compound ID |
CP0206503
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| Compound Name |
2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(2,2,2-trifluoro-1-phenylethoxy)cyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C26H22F3N3O6
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| Molecular Weight |
529.471
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(OC(c4ccccc4)C(F)(F)F)=CC3=O)c2cc1OC
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| InChI |
InChI=1S/C26H22F3N3O6/c1-35-8-9-37-23-12-17-16(10-22(23)36-2)25(31-14-30-17)32-18-11-20(34)21(13-19(18)33)38-24(26(27,28)29)15-6-4-3-5-7-15/h3-7,10-14,24H,8-9H2,1-2H3,(H,30,31,32)
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| InChIKey |
VRUMEXWWYOYMKY-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