COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK190268
Chemical Name: 4-(2-{(E)-[1-(3-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: Clc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2)C(=O)O)/C1=O

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Molecular Weight: 451.89
Empirical Formula: C22H14ClN3O4S

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 4.389
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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