COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381904
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl}-2-nitroaniline
Smiles: COc1ccc(cc1OC)CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)sc(n2)C

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Molecular Weight: 597.72
Empirical Formula: C28H31N5O6S2

Physical State: Dry powder
Available Amount: 474 mg

Lipinsky:
logP: 6.024
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 5

     

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