COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK191580
Chemical Name: 2-chloro-4-(5-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C1=O

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Molecular Weight: 416.84
Empirical Formula: C19H13ClN2O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 131
Number of rings: 3

     

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