General Information of the Compound
| Compound ID |
CP0659536
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| Compound Name |
2-{[6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}-5-[methyl(phenyl) amino] benzo-1,4-quinon
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| Structure |
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| Formula |
C25H24N4O5
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| Molecular Weight |
460.49
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(N(C)c4ccccc4)=CC3=O)c2cc1OC
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| InChI |
InChI=1S/C25H24N4O5/c1-29(16-7-5-4-6-8-16)20-14-21(30)19(12-22(20)31)28-25-17-11-23(33-3)24(34-10-9-32-2)13-18(17)26-15-27-25/h4-8,11-15H,9-10H2,1-3H3,(H,26,27,28)
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| InChIKey |
NFCSIRISBGUOEG-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