COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568464
Chemical Name: 4-[2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)ethyl]-N-methylpiperazine-1-carbothioamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCN2CCN(CC2)C(=S)NC)/C)/C1=O)O

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Molecular Weight: 394.5
Empirical Formula: C17H26N6O3S

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: -0.477
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 132
Number of rings: 2

     

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