General Information of the Compound
| Compound ID |
CP0959497
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| Compound Name |
4-(3-Chloro-2-fluoroanilino)-6-{[1-(N,N-dimethylcarbamoylmethyl)piperidin-4-yl]oxy}-7-methoxyquinazoline
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| Structure |
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| Formula |
C24H27ClFN5O3
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| Molecular Weight |
487.963
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(=O)N(C)C)CC1
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| InChI |
InChI=1S/C24H27ClFN5O3/c1-30(2)22(32)13-31-9-7-15(8-10-31)34-21-11-16-19(12-20(21)33-3)27-14-28-24(16)29-18-6-4-5-17(25)23(18)26/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,27,28,29)
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| InChIKey |
HJDSISDQNHYQBG-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