COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028284
Chemical Name: 2-(3-{(E)-[1-(3,4-dimethylphenyl)-4,6-dioxo-3-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)C)C

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Molecular Weight: 590.77
Empirical Formula: C34H30N4O2S2

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 8.073
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 129
Number of rings: 6

     

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