General Information of the Compound
| Compound ID |
CP0479794
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| Compound Name |
(2S,4R)-4-(2-carboxyphenyl)sulfanylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C12H13NO4S
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| Molecular Weight |
267.306
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| Canonical SMILES |
OC(=O)[C@@H]1C[C@H](CN1)Sc1ccccc1C(O)=O
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| InChI |
InChI=1S/C12H13NO4S/c14-11(15)8-3-1-2-4-10(8)18-7-5-9(12(16)17)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)(H,16,17)/t7-,9+/m1/s1
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| InChIKey |
YPBDKMOKCCZSBI-APPZFPTMSA-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