General Information of the Compound
| Compound ID |
CP0046903
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| Compound Name |
(R)-7-[3-(2-Chloro-4-ethoxy-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C22H25ClO6
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| Molecular Weight |
420.889
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| Canonical SMILES |
CCOc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C22H25ClO6/c1-3-26-16-7-8-19(18(23)13-16)28-12-4-11-27-17-6-5-15-9-10-22(2,21(24)25)29-20(15)14-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)/t22-/m1/s1
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| InChIKey |
NNWLSOVCEDUQTQ-JOCHJYFZSA-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