COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK491191
Chemical Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(4-ethylphenyl)piperazine-1-carbothioamide
Smiles: CCc1ccc(cc1)NC(=S)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 489.02
Empirical Formula: C22H21ClN4O3S2

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 4.958
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 141
Number of rings: 4

     

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