General Information of the Compound
| Compound ID |
CP0965767
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| Compound Name |
3-((benzo[b]thiophen-5-yloxy)methyl)-2-fluorobenzoic acid
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| Structure |
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| Formula |
C16H11FO3S
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| Molecular Weight |
302.326
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc3sccc3c2)c1F
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| InChI |
InChI=1S/C16H11FO3S/c17-15-11(2-1-3-13(15)16(18)19)9-20-12-4-5-14-10(8-12)6-7-21-14/h1-8H,9H2,(H,18,19)
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| InChIKey |
TYIYELFNTWDMDX-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