COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149696
Chemical Name: 4-[2-({[2,6-dioxo-4-(thiophen-2-yl)cyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Smiles: C=CCNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1cccs1

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Molecular Weight: 432.61
Empirical Formula: C21H28N4O2S2

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 1.139
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 125
Number of rings: 3

     

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