COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK032263
Chemical Name: 4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCNC1=CC(=O)CC(C1)(C)C

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Molecular Weight: 338.52
Empirical Formula: C17H30N4OS

Physical State: Dry powder
Available Amount: 222 mg

Lipinsky:
logP: 1.408
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 79
Number of rings: 2

     

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