COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK498799
Chemical Name: (2E)-N-{[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl}-3-phenylprop-2-enamide
Smiles: S=C(Nc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)C)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 442.97
Empirical Formula: C22H23ClN4O2S

Physical State: Dry powder
Available Amount: 35 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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