General Information of the Compound
| Compound ID |
CP0444149
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| Compound Name |
(3S)-2-[(4-acetylphenyl)sulfonylamino]-3-aminobutanedioic acid
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| Structure |
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| Formula |
C12H14N2O7S
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| Molecular Weight |
330.318
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| Canonical SMILES |
CC(=O)c1ccc(cc1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H14N2O7S/c1-6(15)7-2-4-8(5-3-7)22(20,21)14-10(12(18)19)9(13)11(16)17/h2-5,9-10,14H,13H2,1H3,(H,16,17)(H,18,19)/t9-,10?/m0/s1
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| InChIKey |
XMYKJOBTTGFNKX-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