General Information of the Compound
| Compound ID |
CP0292208
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| Compound Name |
2-(7-(4-(4-chlorobenzyloxy)benzylthio)-2,3-dihydro-1H-inden-4-yloxy)acetic acid
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| Structure |
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| Formula |
C25H23ClO4S
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| Molecular Weight |
454.975
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| Canonical SMILES |
OC(=O)COc1ccc(SCc2ccc(OCc3ccc(Cl)cc3)cc2)c2CCCc12
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| InChI |
InChI=1S/C25H23ClO4S/c26-19-8-4-17(5-9-19)14-29-20-10-6-18(7-11-20)16-31-24-13-12-23(30-15-25(27)28)21-2-1-3-22(21)24/h4-13H,1-3,14-16H2,(H,27,28)
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| InChIKey |
PUTRDWOXGQZTNK-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