General Information of the Compound
| Compound ID |
CP0377039
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| Compound Name |
2-[(1S)-5-(3-phenoxypropoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C20H22O4
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| Molecular Weight |
326.392
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12
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| InChI |
InChI=1S/C20H22O4/c21-20(22)14-16-8-7-15-13-18(9-10-19(15)16)24-12-4-11-23-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,(H,21,22)/t16-/m0/s1
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| InChIKey |
MLIMBSAWKFKEOR-INIZCTEOSA-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma