General Information of the Compound
| Compound ID |
CP0776052
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| Compound Name |
2-(Benzyloxy)-5-({6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl}amino)benzo-1,4-quinone
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| Structure |
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| Formula |
C29H30N4O5
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| Molecular Weight |
514.582
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| Canonical SMILES |
COc1cc2c(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)ncnc2cc1OCC1CCN(C)CC1
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| InChI |
InChI=1S/C29H30N4O5/c1-33-10-8-20(9-11-33)17-38-28-14-22-21(12-27(28)36-2)29(31-18-30-22)32-23-13-25(35)26(15-24(23)34)37-16-19-6-4-3-5-7-19/h3-7,12-15,18,20H,8-11,16-17H2,1-2H3,(H,30,31,32)
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| InChIKey |
UDIFASWVFVVHEQ-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