General Information of the Compound
| Compound ID |
CP0045113
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| Compound Name |
(R)-7-[3-(2-Chloro-4-cyclopropylmethoxy-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C24H27ClO6
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| Molecular Weight |
446.927
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| Canonical SMILES |
C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1)C(O)=O
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| InChI |
InChI=1S/C24H27ClO6/c1-24(23(26)27)10-9-17-5-6-19(14-22(17)31-24)28-11-2-12-29-21-8-7-18(13-20(21)25)30-15-16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,26,27)/t24-/m1/s1
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| InChIKey |
NBIVGOULTSIQTF-XMMPIXPASA-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