General Information of the Compound
| Compound ID |
CP0691684
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| Compound Name |
4-{[6-(6-Fluoropyridin-3-yl)quinazolin-2-yl]amino}-N-(2-methoxyethyl)benzamide
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| Structure |
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| Formula |
C23H20FN5O2
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| Molecular Weight |
417.444
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| Canonical SMILES |
COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccc(F)nc4)ccc3n2)cc1
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| InChI |
InChI=1S/C23H20FN5O2/c1-31-11-10-25-22(30)15-2-6-19(7-3-15)28-23-27-14-18-12-16(4-8-20(18)29-23)17-5-9-21(24)26-13-17/h2-9,12-14H,10-11H2,1H3,(H,25,30)(H,27,28,29)
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| InChIKey |
DZNWRPKWTXMVIA-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