COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL381898
Chemical Name: N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-3-methylbutanamide
Smiles: CC(CC(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-])C

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Molecular Weight: 384.89
Empirical Formula: C16H21ClN4O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.149
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 2

     

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