General Information of the Compound
| Compound ID |
CP0388790
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| Compound Name |
3-[4-[(3,4-dichlorophenyl)methylamino]phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C18H19Cl2NO3
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| Molecular Weight |
368.26
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C18H19Cl2NO3/c1-2-24-17(10-18(22)23)13-4-6-14(7-5-13)21-11-12-3-8-15(19)16(20)9-12/h3-9,17,21H,2,10-11H2,1H3,(H,22,23)
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| InChIKey |
BQXKJTSSEKLJKB-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