General Information of the Compound
| Compound ID |
CP0038172
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| Compound Name |
2-(7-(4-(benzyloxy)benzylthio)-2,3-dihydro-1H-inden-4-yloxy)acetic acid
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| Structure |
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| Formula |
C25H24O4S
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| Molecular Weight |
420.53
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| Canonical SMILES |
OC(=O)COc1ccc(SCc2ccc(OCc3ccccc3)cc2)c2CCCc12
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| InChI |
InChI=1S/C25H24O4S/c26-25(27)16-29-23-13-14-24(22-8-4-7-21(22)23)30-17-19-9-11-20(12-10-19)28-15-18-5-2-1-3-6-18/h1-3,5-6,9-14H,4,7-8,15-17H2,(H,26,27)
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| InChIKey |
XWYVNCGVZFRLFM-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