General Information of the Compound
| Compound ID |
CP0103789
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| Compound Name |
2-(7-(4-(4-tert-butylbenzyloxy)benzylthio)-2,3-dihydro-1H-inden-4-yloxy)acetic acid
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| Structure |
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| Formula |
C29H32O4S
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| Molecular Weight |
476.638
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| Canonical SMILES |
CC(C)(C)c1ccc(COc2ccc(CSc3ccc(OCC(O)=O)c4CCCc34)cc2)cc1
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| InChI |
InChI=1S/C29H32O4S/c1-29(2,3)22-11-7-20(8-12-22)17-32-23-13-9-21(10-14-23)19-34-27-16-15-26(33-18-28(30)31)24-5-4-6-25(24)27/h7-16H,4-6,17-19H2,1-3H3,(H,30,31)
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| InChIKey |
SNUCWTMFDGLTCI-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