General Information of the Compound
| Compound ID |
CP0739703
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| Compound Name |
2-{[6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}-5-(methylthio)benzo-1,4-quinone
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| Structure |
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| Formula |
C19H19N3O5S
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| Molecular Weight |
401.444
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(SC)=CC3=O)c2cc1OC
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| InChI |
InChI=1S/C19H19N3O5S/c1-25-4-5-27-17-8-12-11(6-16(17)26-2)19(21-10-20-12)22-13-7-15(24)18(28-3)9-14(13)23/h6-10H,4-5H2,1-3H3,(H,20,21,22)
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| InChIKey |
DANRECYHPDNQGT-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