General Information of the Compound
| Compound ID |
CP0492809
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| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(1H-pyrazol-5-yl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C21H15F2N3O2S
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| Molecular Weight |
411.433
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccn[nH]1)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H15F2N3O2S/c22-14-5-1-12(2-6-14)19(13-3-7-15(23)8-4-13)21-25-20(16-9-10-24-26-16)17(29-21)11-18(27)28/h1-10,19H,11H2,(H,24,26)(H,27,28)
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| InChIKey |
POXUUHTUGLWMIK-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