COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549985
Chemical Name: 6-chloro-N-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)pyridine-3-carboxamide
Smiles: S=C(N1CCN(CC1)C/C=C/c1ccccc1)NC(=O)c1ccc(nc1)Cl

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Molecular Weight: 400.93
Empirical Formula: C20H21ClN4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.673
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 80
Number of rings: 3

     

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