General Information of the Compound
| Compound ID |
CP0502628
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| Compound Name |
2-(4-(2-(azetidin-1-yl)pyridin-4-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C26H21F2N3O2S
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| Molecular Weight |
477.536
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccnc(c1)N1CCC1)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H21F2N3O2S/c27-19-6-2-16(3-7-19)24(17-4-8-20(28)9-5-17)26-30-25(21(34-26)15-23(32)33)18-10-11-29-22(14-18)31-12-1-13-31/h2-11,14,24H,1,12-13,15H2,(H,32,33)
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| InChIKey |
QESHNZBJCSJXHC-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