COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762783
Chemical Name: 2-{2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CSc1nc2c(s1)cc(cc2)N1C(=O)C2C(C1=O)C1CC2C=C1)[N+](=O)[O-]

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Molecular Weight: 493.56
Empirical Formula: C24H19N3O5S2

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 3.72
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 158
Number of rings: 6

     

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