General Information of the Compound
| Compound ID |
CP0174127
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| Compound Name |
2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C22H26O4
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| Molecular Weight |
354.446
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| Canonical SMILES |
Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1
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| InChI |
InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
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| InChIKey |
XNQKRHGPWPVZTM-SFHVURJKSA-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