General Information of the Compound
| Compound ID |
CP0904113
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| Compound Name |
3-(2-Phenylbenzofuran-5-yl)propanoic acid
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| Structure |
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| Formula |
C17H14O3
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| Molecular Weight |
266.296
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| Canonical SMILES |
O=C(O)CCc1ccc2oc(-c3ccccc3)cc2c1
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| InChI |
InChI=1S/C17H14O3/c18-17(19)9-7-12-6-8-15-14(10-12)11-16(20-15)13-4-2-1-3-5-13/h1-6,8,10-11H,7,9H2,(H,18,19)
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| InChIKey |
XOXKYEJIFOAUNL-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