General Information of the Compound
| Compound ID |
CP0152913
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| Compound Name |
(R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C24H29ClO5
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| Molecular Weight |
432.944
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| Canonical SMILES |
CC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C24H29ClO5/c1-23(2,3)17-7-9-20(19(25)14-17)29-13-5-12-28-18-8-6-16-10-11-24(4,22(26)27)30-21(16)15-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27)/t24-/m1/s1
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| InChIKey |
XQAIQBLJGQZECG-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