General Information of the Compound
| Compound ID |
CP0087700
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| Compound Name |
3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1-(2-phenylacetyl)thiourea
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| Structure |
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| Formula |
C26H22FN3O4S
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| Molecular Weight |
491.544
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1OC
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| InChI |
InChI=1S/C26H22FN3O4S/c1-32-23-14-18-20(15-24(23)33-2)28-11-10-21(18)34-22-9-8-17(13-19(22)27)29-26(35)30-25(31)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H2,29,30,31,35)
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| InChIKey |
NDECJXFIPXCRJU-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