COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178455
Chemical Name: (3aR,7aS)-2-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: Cc1ccc(cc1)Sc1cc(cc(c1)[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)CCCC2

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Molecular Weight: 396.47
Empirical Formula: C21H20N2O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.158
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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