COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149131
Chemical Name: N-methyl-4-[2-({(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Smiles: CNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C)S

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Molecular Weight: 446.6
Empirical Formula: C20H26N6O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.355
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 151
Number of rings: 3

     

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