General Information of the Compound
| Compound ID |
CP0499463
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| Compound Name |
2-(2-((4-cyanophenyl)(phenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C24H16FN3O2S
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| Molecular Weight |
429.476
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H16FN3O2S/c25-18-10-8-17(9-11-18)23-21(14-22(29)30)31-24(27-23)28(19-4-2-1-3-5-19)20-12-6-16(15-26)7-13-20/h1-13H,14H2,(H,29,30)
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| InChIKey |
ZSEFTYXIDLEBRK-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