General Information of the Compound
| Compound ID |
CP0161178
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| Compound Name |
2-(8-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)chroman-5-yloxy)acetic acid
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| Structure |
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| Formula |
C26H23F3O5S
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| Molecular Weight |
504.526
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| Canonical SMILES |
OC(=O)COc1ccc(SCc2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c2OCCCc12
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| InChI |
InChI=1S/C26H23F3O5S/c27-26(28,29)19-7-3-17(4-8-19)14-33-20-9-5-18(6-10-20)16-35-23-12-11-22(34-15-24(30)31)21-2-1-13-32-25(21)23/h3-12H,1-2,13-16H2,(H,30,31)
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| InChIKey |
CUOCCHDGPRTEAX-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