General Information of the Compound
| Compound ID |
CP0083122
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| Compound Name |
2-[3-(Ethylamino)phenoxy]-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone
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| Structure |
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| Formula |
C26H26N4O6
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| Molecular Weight |
490.516
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| Canonical SMILES |
CCNc1cccc(OC2=CC(=O)C(Nc3ncnc4cc(OCCOC)c(OC)cc34)=CC2=O)c1
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| InChI |
InChI=1S/C26H26N4O6/c1-4-27-16-6-5-7-17(10-16)36-23-14-21(31)20(12-22(23)32)30-26-18-11-24(34-3)25(35-9-8-33-2)13-19(18)28-15-29-26/h5-7,10-15,27H,4,8-9H2,1-3H3,(H,28,29,30)
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| InChIKey |
JBOAWYKUNQTYRJ-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