COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009378
Chemical Name: N-cyclohexyl-4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carbothioamide
Smiles: O=C1C=C(NCCN2CCN(CC2)C(=S)NC2CCCCC2)CC(C1)(C)C

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Molecular Weight: 392.61
Empirical Formula: C21H36N4OS

Physical State: Dry powder
Available Amount: 698 mg

Lipinsky:
logP: 2.936
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 79
Number of rings: 3

     

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