COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570891
Chemical Name: 3-(2-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cccn2c2cccc(c2)C(=O)O)/C1=O)S

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Molecular Weight: 451.89
Empirical Formula: C22H14ClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.834
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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