General Information of the Compound
| Compound ID |
CP0962731
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| Compound Name |
methyl 4-[2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholin-4-yl]-4-oxobutanoate
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| Structure |
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| Formula |
C25H26Cl2N4O6
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| Molecular Weight |
549.411
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| Canonical SMILES |
COC(=O)CCC(=O)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C25H26Cl2N4O6/c1-34-21-10-17-20(28-14-29-25(17)30-15-3-4-18(26)19(27)9-15)11-22(21)37-13-16-12-31(7-8-36-16)23(32)5-6-24(33)35-2/h3-4,9-11,14,16H,5-8,12-13H2,1-2H3,(H,28,29,30)
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| InChIKey |
VGKSTMJEMVAVLY-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