COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK459911
Chemical Name: ethyl4-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 516.96
Empirical Formula: C23H21ClN4O6S

Physical State: Dry powder
Available Amount: 521 mg

Lipinsky:
logP: 4.122
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 153
Number of rings: 4

     

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