General Information of the Compound
| Compound ID |
CP0942268
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| Compound Name |
1-(4-(4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)-2-hydroxyethanone
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| Structure |
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| Formula |
C22H22ClFN4O4
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| Molecular Weight |
460.893
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C(=O)CO)CC1
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| InChI |
InChI=1S/C22H22ClFN4O4/c1-31-18-10-17-14(9-19(18)32-13-5-7-28(8-6-13)20(30)11-29)22(26-12-25-17)27-16-4-2-3-15(23)21(16)24/h2-4,9-10,12-13,29H,5-8,11H2,1H3,(H,25,26,27)
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| InChIKey |
PIXGREVHVGOWSM-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