LY389795   Click here for help

GtoPdb Ligand ID: 3349

Synonyms: LY 389795 | LY-389795
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 125.92
Molecular weight 203.03
XLogP -3.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1C2C1C(CS2)(N)C(=O)O
Isomeric SMILES OC(=O)[C@H]1C2C1[C@](CS2)(N)C(=O)O
InChI InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
InChI Key QBHIOYZCUZBIEN-RSWQVWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Synonyms Click here for help
LY 389795 | LY-389795
Database Links Click here for help
ChEMBL Ligand CHEMBL88999
GtoPdb PubChem SID 178100379
PubChem CID 10058694
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