General Information of the Compound
| Compound ID |
CP0453547
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| Compound Name |
(S)-2-Amino-5-m-tolylsulfanyl-pentanoic acid
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| Structure |
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| Formula |
C12H17NO2S
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| Molecular Weight |
239.34
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| Canonical SMILES |
Cc1cccc(SCCC[C@H](N)C(O)=O)c1
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| InChI |
InChI=1S/C12H17NO2S/c1-9-4-2-5-10(8-9)16-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)/t11-/m0/s1
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| InChIKey |
IGLUMGLMRMKLJE-NSHDSACASA-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