General Information of the Compound
| Compound ID |
CP0413831
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| Compound Name |
2-amino-3-[3,4-dichloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]propanoic acid
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| Structure |
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| Formula |
C17H15Cl2NO4
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| Molecular Weight |
368.216
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| Canonical SMILES |
NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc2OCCOc2c1)C(O)=O
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| InChI |
InChI=1S/C17H15Cl2NO4/c18-12-6-9(7-13(20)17(21)22)5-11(16(12)19)10-1-2-14-15(8-10)24-4-3-23-14/h1-2,5-6,8,13H,3-4,7,20H2,(H,21,22)
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| InChIKey |
NEZVGXPNRPFTLH-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