General Information of the Compound
| Compound ID |
CP0409591
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| Compound Name |
(3S)-3-ethoxy-3-[4-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H24O5
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| Molecular Weight |
356.418
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(OC2CCc3c2cccc3OC)cc1
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| InChI |
InChI=1S/C21H24O5/c1-3-25-20(13-21(22)23)14-7-9-15(10-8-14)26-19-12-11-17-16(19)5-4-6-18(17)24-2/h4-10,19-20H,3,11-13H2,1-2H3,(H,22,23)/t19?,20-/m0/s1
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| InChIKey |
OXWCJXISSNZOGS-ANYOKISRSA-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