General Information of the Compound
| Compound ID |
CP0679310
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| Compound Name |
4-(7-ethoxy-4,4-dimethylchroman-6-carbonyl)benzoic acid
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| Structure |
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| Formula |
C21H22O5
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| Molecular Weight |
354.402
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| Canonical SMILES |
CCOc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCO2
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| InChI |
InChI=1S/C21H22O5/c1-4-25-17-12-18-16(21(2,3)9-10-26-18)11-15(17)19(22)13-5-7-14(8-6-13)20(23)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,24)
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| InChIKey |
NYAJIFUXDUYLRS-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