COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458185
Chemical Name: N-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Smiles: COc1ccc(cc1OC)NC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 402.47
Empirical Formula: C19H22N4O4S

Physical State: Dry powder
Available Amount: 461 mg

Lipinsky:
logP: 2.806
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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