General Information of the Compound
| Compound ID |
CP0532834
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| Compound Name |
(3S)-3-[4-[[(3S)-6-(2-fluoro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C28H25FO6
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| Molecular Weight |
476.5
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| Canonical SMILES |
COc1ccc(c(F)c1)-c1ccc2OC[C@H](COc3ccc(cc3)[C@H](CC(O)=O)C#CC)Oc2c1
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| InChI |
InChI=1S/C28H25FO6/c1-3-4-19(14-28(30)31)18-5-8-21(9-6-18)33-16-23-17-34-26-12-7-20(13-27(26)35-23)24-11-10-22(32-2)15-25(24)29/h5-13,15,19,23H,14,16-17H2,1-2H3,(H,30,31)/t19-,23-/m0/s1
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| InChIKey |
RLBWUTXSAGCWOM-CVDCTZTESA-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