General Information of the Compound
| Compound ID |
CP0505244
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| Compound Name |
4-(2-Chloro-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C16H19ClN2O5
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| Molecular Weight |
354.79
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| Canonical SMILES |
CCOC(=O)CCCn1c(Cl)nc2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C16H19ClN2O5/c1-4-24-14(20)6-5-7-19-15(21)10-8-12(22-2)13(23-3)9-11(10)18-16(19)17/h8-9H,4-7H2,1-3H3
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| InChIKey |
IOWJVVPQLPSBFZ-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