General Information of the Compound
| Compound ID |
CP0457360
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| Compound Name |
(3S)-3-[4-[[(2S)-5-chloro-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C21H19ClO5
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| Molecular Weight |
386.831
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3c(Cl)cccc3O2)cc1
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| InChI |
InChI=1S/C21H19ClO5/c1-2-4-15(11-20(23)24)14-7-9-16(10-8-14)25-12-17-13-26-21-18(22)5-3-6-19(21)27-17/h3,5-10,15,17H,11-13H2,1H3,(H,23,24)/t15-,17-/m0/s1
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| InChIKey |
ILBXCKQMCIWHLY-RDJZCZTQSA-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