COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044760
Chemical Name: N-(4-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

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Molecular Weight: 412.51
Empirical Formula: C21H24N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.235
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 129
Number of rings: 3

     

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