COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741787
Chemical Name: 4-[2-({[4-(furan-2-yl)-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)c1ccco1

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Molecular Weight: 416.54
Empirical Formula: C21H28N4O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0.623
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 109
Number of rings: 3

     

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