COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143170
Chemical Name: 4-[2-({[2,6-dioxo-4-(thiophen-2-yl)cyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1cccs1

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Molecular Weight: 420.6
Empirical Formula: C20H28N4O2S2

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 0.843
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 125
Number of rings: 3

     

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