General Information of the Compound
| Compound ID |
CP0508010
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| Compound Name |
4-[2-(4-Azido-phenylamino)-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl]-butyric acid ethyl ester
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| Structure |
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| Formula |
C22H24N6O5
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| Molecular Weight |
452.471
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| Canonical SMILES |
CCOC(=O)CCCn1c(Nc2ccc(cc2)N=[N+]=[N-])nc2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C22H24N6O5/c1-4-33-20(29)6-5-11-28-21(30)16-12-18(31-2)19(32-3)13-17(16)25-22(28)24-14-7-9-15(10-8-14)26-27-23/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,25)
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| InChIKey |
IUZFFQUDUCMDOJ-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