General Information of the Compound
| Compound ID |
CP0437622
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| Compound Name |
2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-(furan-2-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)c1ccco1
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| InChI |
InChI=1S/C18H13NO5S/c19-9-13-3-4-14(23-10-12-5-7-25-11-12)8-16(13)24-17(18(20)21)15-2-1-6-22-15/h1-8,11,17H,10H2,(H,20,21)
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| InChIKey |
JUOTWKICBKOZSZ-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