COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK604935
Chemical Name: ethyl2-(3-{(E)-[1-(3,5-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=NC(=O)N(C1=O)c1cc(C)cc(c1)C)O

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Molecular Weight: 545.66
Empirical Formula: C30H31N3O5S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 7.203
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 5

     

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