General Information of the Compound
| Compound ID |
CP0166949
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| Compound Name |
2-(4-imidazol-1-ylphenoxy)-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 |
C27H23N5O6
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| Molecular Weight |
513.51
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4ccc(cc4)-n4ccnc4)=CC3=O)c2cc1OC
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| InChI |
InChI=1S/C27H23N5O6/c1-35-9-10-37-26-13-20-19(11-25(26)36-2)27(30-15-29-20)31-21-12-23(34)24(14-22(21)33)38-18-5-3-17(4-6-18)32-8-7-28-16-32/h3-8,11-16H,9-10H2,1-2H3,(H,29,30,31)
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| InChIKey |
GHIMBGCTNOYREA-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