General Information of the Compound
| Compound ID |
CP0863894
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| Compound Name |
1-(3-(2-Cyanopropan-2-yl)isoxazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
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| Structure |
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| Formula |
C24H22N6O5
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| Molecular Weight |
474.477
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C#N)no4)c3)c2cc1OC
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| InChI |
InChI=1S/C24H22N6O5/c1-24(2,12-25)20-11-21(35-30-20)29-23(31)28-14-6-5-7-15(8-14)34-22-16-9-18(32-3)19(33-4)10-17(16)26-13-27-22/h5-11,13H,1-4H3,(H2,28,29,31)
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| InChIKey |
OPPJJHYAOKLFSK-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