General Information of the Compound
| Compound ID |
CP0492810
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| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(2-(dimethylamino)pyridin-4-yl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H21F2N3O2S
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| Molecular Weight |
465.525
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| Canonical SMILES |
CN(C)c1cc(ccn1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H21F2N3O2S/c1-30(2)21-13-17(11-12-28-21)24-20(14-22(31)32)33-25(29-24)23(15-3-7-18(26)8-4-15)16-5-9-19(27)10-6-16/h3-13,23H,14H2,1-2H3,(H,31,32)
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| InChIKey |
HXGOZZCNWIRGDR-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