General Information of the Compound
| Compound ID |
CP0536494
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| Compound Name |
2-amino-3-[3,4-dichloro-5-(3-methoxyphenyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C16H15Cl2NO3
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| Molecular Weight |
340.206
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| Canonical SMILES |
COc1cccc(c1)-c1cc(CC(N)C(O)=O)cc(Cl)c1Cl
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| InChI |
InChI=1S/C16H15Cl2NO3/c1-22-11-4-2-3-10(8-11)12-5-9(6-13(17)15(12)18)7-14(19)16(20)21/h2-6,8,14H,7,19H2,1H3,(H,20,21)
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| InChIKey |
LMFIILLOHZCYDW-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