COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574741
Chemical Name: methylN-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}tryptophanate
Smiles: C=CCN1C(=NC(=O)/C(=C\NC(C(=O)OC)Cc2c[nH]c3c2cccc3)/C1=O)S

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Molecular Weight: 412.47
Empirical Formula: C20H20N4O4S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.899
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 142
Number of rings: 3

     

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