General Information of the Compound
| Compound ID |
CP0400931
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| Compound Name |
(2S)-2-amino-3-[(2,6-dichlorophenyl)sulfonylamino]butanedioic acid
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| Structure |
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| Formula |
C10H10Cl2N2O6S
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| Molecular Weight |
357.171
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| Canonical SMILES |
N[C@@H](C(NS(=O)(=O)c1c(Cl)cccc1Cl)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C10H10Cl2N2O6S/c11-4-2-1-3-5(12)8(4)21(19,20)14-7(10(17)18)6(13)9(15)16/h1-3,6-7,14H,13H2,(H,15,16)(H,17,18)/t6-,7?/m0/s1
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| InChIKey |
QMBOREXWXCNQPI-PKPIPKONSA-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