General Information of the Compound
| Compound ID |
CP0498738
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| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(2-(methylamino)pyridin-4-yl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C24H19F2N3O2S
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| Molecular Weight |
451.498
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| Canonical SMILES |
CNc1cc(ccn1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H19F2N3O2S/c1-27-20-12-16(10-11-28-20)23-19(13-21(30)31)32-24(29-23)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15/h2-12,22H,13H2,1H3,(H,27,28)(H,30,31)
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| InChIKey |
PJGJFJWOBRCMMD-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