General Information of the Compound
| Compound ID |
CP0173293
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| Compound Name |
2-(6-((5-(4-chlorophenyl)isoxazol-3-yl)methoxy)-5-methylbenzo[b]thiophen-3-yl)acetic acid
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| Structure |
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| Formula |
C21H16ClNO4S
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| Molecular Weight |
413.882
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| Canonical SMILES |
Cc1cc2c(CC(O)=O)csc2cc1OCc1cc(on1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H16ClNO4S/c1-12-6-17-14(7-21(24)25)11-28-20(17)9-18(12)26-10-16-8-19(27-23-16)13-2-4-15(22)5-3-13/h2-6,8-9,11H,7,10H2,1H3,(H,24,25)
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| InChIKey |
ZVKBDHBUPHRNRS-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