COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL025009
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: COc1ccc(cc1OC)CCNC1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-]

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Molecular Weight: 391.4
Empirical Formula: C17H17N3O6S

Available Amount: 0 mg

Lipinsky:
logP: 2.074
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 123
Number of rings: 3

     

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