General Information of the Compound
| Compound ID |
CP0544972
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| Compound Name |
3-benzylsulfanyl-2-[(2-phenylacetyl)amino]propanoic acid
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| Structure |
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| Formula |
C18H19NO3S
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| Molecular Weight |
329.421
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| Canonical SMILES |
OC(=O)C(CSCc1ccccc1)NC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C18H19NO3S/c20-17(11-14-7-3-1-4-8-14)19-16(18(21)22)13-23-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)(H,21,22)
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| InChIKey |
QPJDYFJSCDMPOG-UHFFFAOYSA-N
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| CAS |
5411-82-5
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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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma