General Information of the Compound
| Compound ID |
CP0384213
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| Compound Name |
4-[2-(4-Bromo-phenylamino)-6,7-dimethoxy-quinazolin-4-yloxy]-butyric acid ethyl ester
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| Structure |
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| Formula |
C22H24BrN3O5
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| Molecular Weight |
490.354
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| Canonical SMILES |
CCOC(=O)CCCOc1nc(Nc2ccc(Br)cc2)nc2cc(OC)c(OC)cc12
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| InChI |
InChI=1S/C22H24BrN3O5/c1-4-30-20(27)6-5-11-31-21-16-12-18(28-2)19(29-3)13-17(16)25-22(26-21)24-15-9-7-14(23)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,25,26)
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| InChIKey |
SACHOXIYVRLBLJ-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