COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK462028
Chemical Name: ethyl4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 397.84
Empirical Formula: C16H16ClN3O5S

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 3.285
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 123
Number of rings: 3

     

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