COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050120
Chemical Name: 2-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}benzoicacid
Smiles: SC1=NC(=O)/C(=C\Nc2ccccc2C(=O)O)/C(=O)N1CCC1=CCCCC1

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Molecular Weight: 399.47
Empirical Formula: C20H21N3O4S

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 4.567
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 3

     

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