General Information of the Compound
| Compound ID |
CP0424516
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| Compound Name |
(2S)-2-amino-3-[(3,5-dimethylphenyl)sulfonylamino]butanedioic acid
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| Structure |
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| Formula |
C12H16N2O6S
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| Molecular Weight |
316.335
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| Canonical SMILES |
Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H16N2O6S/c1-6-3-7(2)5-8(4-6)21(19,20)14-10(12(17)18)9(13)11(15)16/h3-5,9-10,14H,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10?/m0/s1
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| InChIKey |
QJQRXCHCBBAOEI-RGURZIINSA-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