General Information of the Compound
| Compound ID |
CP0930316
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| Compound Name |
methyl 5-[2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholin-4-yl]pentanoate
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| Structure |
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| Formula |
C26H30Cl2N4O5
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| Molecular Weight |
549.455
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| Canonical SMILES |
COC(=O)CCCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C26H30Cl2N4O5/c1-34-23-12-19-22(29-16-30-26(19)31-17-6-7-20(27)21(28)11-17)13-24(23)37-15-18-14-32(9-10-36-18)8-4-3-5-25(33)35-2/h6-7,11-13,16,18H,3-5,8-10,14-15H2,1-2H3,(H,29,30,31)
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| InChIKey |
GQBGDMIPLRKLGO-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