COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020933
Chemical Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
Smiles: O=C(N1CCCC1)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

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Molecular Weight: 323.4
Empirical Formula: C13H13N3O3S2

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 2.919
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 132
Number of rings: 3

     

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