General Information of the Compound
| Compound ID |
CP0210529
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| Compound Name |
2-(7-(2-(4-(trifluoromethyl)benzyloxy)-6-fluorobenzylthio)-2,3-dihydro-1H-inden-4-yloxy)acetic acid
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| Structure |
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| Formula |
C26H22F4O4S
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| Molecular Weight |
506.517
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| Canonical SMILES |
OC(=O)COc1ccc(SCc2c(F)cccc2OCc2ccc(cc2)C(F)(F)F)c2CCCc12
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| InChI |
InChI=1S/C26H22F4O4S/c27-21-5-2-6-22(33-13-16-7-9-17(10-8-16)26(28,29)30)20(21)15-35-24-12-11-23(34-14-25(31)32)18-3-1-4-19(18)24/h2,5-12H,1,3-4,13-15H2,(H,31,32)
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| InChIKey |
CDKVMZDUGNDTMQ-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