COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK614196
Chemical Name: 4-chloro-3-(5-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: C=CCN1C(=NC(=O)/C(=C/c2ccc(o2)c2cc(ccc2Cl)C(=O)O)/C1=O)S

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Molecular Weight: 416.84
Empirical Formula: C19H13ClN2O5S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.724
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 138
Number of rings: 3

     

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