COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676372
Chemical Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
Smiles: CCOc1ccc2c(c1)sc(n2)SC(C(=O)N1CCN(CC1)c1nc2c(s1)cc(cc2)[N+](=O)[O-])C

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Molecular Weight: 529.66
Empirical Formula: C23H23N5O4S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.799
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 186
Number of rings: 5

     

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