General Information of the Compound
| Compound ID |
CP0166952
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| Compound Name |
3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone
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| Structure |
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| Formula |
C20H20ClN3O6
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| Molecular Weight |
433.848
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| Canonical SMILES |
CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O
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| InChI |
InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24)
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| InChIKey |
IFOBYXSAANTUKE-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