General Information of the Compound
| Compound ID |
CP0436961
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| Compound Name |
2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-(furan-3-yl)acetic acid
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| Structure |
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| Formula |
C18H13NO5S
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| Molecular Weight |
355.371
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| Canonical SMILES |
OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccoc1
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| InChI |
InChI=1S/C18H13NO5S/c19-8-13-1-2-15(23-9-12-4-6-25-11-12)7-16(13)24-17(18(20)21)14-3-5-22-10-14/h1-7,10-11,17H,9H2,(H,20,21)
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| InChIKey |
LDZMHMVIHUHHKB-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