COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006458
Chemical Name: 4-[2-({[4-(4-ethylphenyl)-2,6-dioxocyclohexylidene]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)c1ccc(cc1)CC

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Molecular Weight: 454.64
Empirical Formula: C25H34N4O2S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 2.453
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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