COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK252066
Chemical Name: (2E)-N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide
Smiles: CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 471.02
Empirical Formula: C24H27ClN4O2S

Physical State: Dry powder
Available Amount: 511 mg

Lipinsky:
logP: 4.093
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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