General Information of the Compound
| Compound ID |
CP0082372
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| Compound Name |
5-Benzyloxy-3-isopropoxy-benzo[b]thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C19H18O4S
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| Molecular Weight |
342.416
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| Canonical SMILES |
CC(C)Oc1c(sc2ccc(OCc3ccccc3)cc12)C(O)=O
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| InChI |
InChI=1S/C19H18O4S/c1-12(2)23-17-15-10-14(22-11-13-6-4-3-5-7-13)8-9-16(15)24-18(17)19(20)21/h3-10,12H,11H2,1-2H3,(H,20,21)
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| InChIKey |
MFIHFDWJBWXRFD-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