COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007426
Chemical Name: methyl2-{(3R,3'S,3a'S,6a'R)-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}benzoate
Smiles: CSCC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1C(=O)OC)C(=O)Nc1c2cccc1

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Molecular Weight: 465.53
Empirical Formula: C24H23N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.666
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 130
Number of rings: 5

     

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