COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK956516
Chemical Name: 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-1H-isoindole-1,3(2H)-dione
Smiles: [O-][N+](=O)c1cc(Sc2nc3c(s2)cccc3)cc(c1)N1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 433.47
Empirical Formula: C21H11N3O4S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.302
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 149
Number of rings: 5

     

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