General Information of the Compound
| Compound ID |
CP0874361
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| Compound Name |
(RS)-5-(5-(2-Amino-2-carboxyethyl)-2,3-dichlorophenyl)thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C14H11Cl2NO4S
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| Molecular Weight |
360.218
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| Canonical SMILES |
NC(Cc1cc(Cl)c(Cl)c(-c2ccc(C(=O)O)s2)c1)C(=O)O
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| InChI |
InChI=1S/C14H11Cl2NO4S/c15-8-4-6(5-9(17)13(18)19)3-7(12(8)16)10-1-2-11(22-10)14(20)21/h1-4,9H,5,17H2,(H,18,19)(H,20,21)
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| InChIKey |
ARDGAYSKDMGALL-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