General Information of the Compound
| Compound ID |
CP0479589
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| Compound Name |
3-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy]phenyl]-3-(3-methyltriazol-4-yl)propanoic acid
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| Structure |
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| Formula |
C21H20ClN3O5
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| Molecular Weight |
429.86
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| Canonical SMILES |
Cn1nncc1C(CC(O)=O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1
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| InChI |
InChI=1S/C21H20ClN3O5/c1-25-18(10-23-24-25)17(9-21(26)27)13-2-5-15(6-3-13)28-11-16-12-29-19-7-4-14(22)8-20(19)30-16/h2-8,10,16-17H,9,11-12H2,1H3,(H,26,27)
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| InChIKey |
OSPCTENLXSMJAS-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