General Information of the Compound
| Compound ID |
CP0478738
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| Compound Name |
3-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy]phenyl]-3-(1,3-oxazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C21H18ClNO6
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| Molecular Weight |
415.829
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| Canonical SMILES |
OC(=O)CC(c1cnco1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
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| InChI |
InChI=1S/C21H18ClNO6/c22-14-3-6-18-19(7-14)29-16(11-27-18)10-26-15-4-1-13(2-5-15)17(8-21(24)25)20-9-23-12-28-20/h1-7,9,12,16-17H,8,10-11H2,(H,24,25)
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| InChIKey |
LBXKXRVUCOIOKC-UHFFFAOYSA-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