General Information of the Compound
| Compound ID |
CP0083521
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| Compound Name |
2-(6-((5-(4-chlorophenyl)isoxazol-3-yl)methoxy)benzofuran-3-yl)acetic acid
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| Structure |
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| Formula |
C20H14ClNO5
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| Molecular Weight |
383.787
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| Canonical SMILES |
OC(=O)Cc1coc2cc(OCc3cc(on3)-c3ccc(Cl)cc3)ccc12
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| InChI |
InChI=1S/C20H14ClNO5/c21-14-3-1-12(2-4-14)18-8-15(22-27-18)11-25-16-5-6-17-13(7-20(23)24)10-26-19(17)9-16/h1-6,8-10H,7,11H2,(H,23,24)
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| InChIKey |
USGOBGVRHPNUJT-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