General Information of the Compound
| Compound ID |
CP0899525
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| Compound Name |
3-[2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholin-4-yl]butan-2-one
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| Structure |
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| Formula |
C24H26Cl2N4O4
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| Molecular Weight |
505.402
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(C)C(C)=O)CCO1
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| InChI |
InChI=1S/C24H26Cl2N4O4/c1-14(15(2)31)30-6-7-33-17(11-30)12-34-23-10-21-18(9-22(23)32-3)24(28-13-27-21)29-16-4-5-19(25)20(26)8-16/h4-5,8-10,13-14,17H,6-7,11-12H2,1-3H3,(H,27,28,29)
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| InChIKey |
UIODCBCHOOHDBJ-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