General Information of the Compound
| Compound ID |
CP0391532
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| Compound Name |
2-amino-3-[3,4-dichloro-5-(3,5-dihydroxyphenyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C15H13Cl2NO4
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| Molecular Weight |
342.178
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| Canonical SMILES |
NC(Cc1cc(Cl)c(Cl)c(c1)-c1cc(O)cc(O)c1)C(O)=O
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| InChI |
InChI=1S/C15H13Cl2NO4/c16-12-2-7(3-13(18)15(21)22)1-11(14(12)17)8-4-9(19)6-10(20)5-8/h1-2,4-6,13,19-20H,3,18H2,(H,21,22)
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| InChIKey |
SJULDPMCSFALNL-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