General Information of the Compound
| Compound ID |
CP0372017
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| Compound Name |
2-(4-(2-amino-6-fluoropyridin-4-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C23H16F3N3O2S
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| Molecular Weight |
455.461
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| Canonical SMILES |
Nc1cc(cc(F)n1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H16F3N3O2S/c24-15-5-1-12(2-6-15)21(13-3-7-16(25)8-4-13)23-29-22(17(32-23)11-20(30)31)14-9-18(26)28-19(27)10-14/h1-10,21H,11H2,(H2,27,28)(H,30,31)
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| InChIKey |
HINLKZQFOOWQSN-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