General Information of the Compound
| Compound ID |
CP0402139
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| Compound Name |
2-(2-(bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H21FN2O4S
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| Molecular Weight |
464.518
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| Canonical SMILES |
COc1ccc(cc1)N(c1nc(c(CC(O)=O)s1)-c1cccc(F)c1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C25H21FN2O4S/c1-31-20-10-6-18(7-11-20)28(19-8-12-21(32-2)13-9-19)25-27-24(22(33-25)15-23(29)30)16-4-3-5-17(26)14-16/h3-14H,15H2,1-2H3,(H,29,30)
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| InChIKey |
YIOQGJGORVOHMD-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