General Information of the Compound
| Compound ID |
CP0534590
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| Compound Name |
(3S)-3-[4-[[(3S)-6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C21H18Cl2O5
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| Molecular Weight |
421.276
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3cc(Cl)c(Cl)cc3O2)cc1
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| InChI |
InChI=1S/C21H18Cl2O5/c1-2-3-14(8-21(24)25)13-4-6-15(7-5-13)26-11-16-12-27-19-9-17(22)18(23)10-20(19)28-16/h4-7,9-10,14,16H,8,11-12H2,1H3,(H,24,25)/t14-,16-/m0/s1
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| InChIKey |
UEWRJPMUUKQDCA-HOCLYGCPSA-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