General Information of the Compound
| Compound ID |
CP0944375
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| Compound Name |
3-((1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)benzoic acid
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| Structure |
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| Formula |
C17H14O4
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| Molecular Weight |
282.295
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc3c(c2)CCC3=O)c1
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| InChI |
InChI=1S/C17H14O4/c18-16-7-4-12-9-14(5-6-15(12)16)21-10-11-2-1-3-13(8-11)17(19)20/h1-3,5-6,8-9H,4,7,10H2,(H,19,20)
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| InChIKey |
KBPGUOPYTWTORJ-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