General Information of the Compound
| Compound ID |
CP0444146
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| Compound Name |
(2S)-2-amino-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanedioic acid
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| Structure |
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| Formula |
C11H11F3N2O6S
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| Molecular Weight |
356.278
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| Canonical SMILES |
N[C@@H](C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C11H11F3N2O6S/c12-11(13,14)5-2-1-3-6(4-5)23(21,22)16-8(10(19)20)7(15)9(17)18/h1-4,7-8,16H,15H2,(H,17,18)(H,19,20)/t7-,8?/m0/s1
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| InChIKey |
FATMQFBYVIKULP-JAMMHHFISA-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