COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149694
Chemical Name: 4-[2-({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccco1)Nc1ccccc1

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Molecular Weight: 452.58
Empirical Formula: C24H28N4O3S

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 1.178
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 109
Number of rings: 4

     

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