COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560579
Chemical Name: 2-(3-{(E)-[1-(4-ethoxyphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O)O

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Molecular Weight: 514.6
Empirical Formula: C28H26N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.492
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 136
Number of rings: 5

     

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