General Information of the Compound
| Compound ID |
CP0058680
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| Compound Name |
2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-(pyridin-3-ylmethoxy)cyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C24H22N4O6
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| Molecular Weight |
462.462
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccnc4)=CC3=O)c2cc1OC
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| InChI |
InChI=1S/C24H22N4O6/c1-31-6-7-33-23-10-17-16(8-22(23)32-2)24(27-14-26-17)28-18-9-20(30)21(11-19(18)29)34-13-15-4-3-5-25-12-15/h3-5,8-12,14H,6-7,13H2,1-2H3,(H,26,27,28)
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| InChIKey |
HSVARJCHTHWILA-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