COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198016
Chemical Name: 2-(3-{(E)-[1-(4-chlorophenyl)-3-ethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: CCN1C(=O)/C(=C\c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C(=O)N(C1=S)c1ccc(cc1)Cl

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Molecular Weight: 549.12
Empirical Formula: C28H25ClN4O2S2

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 6.527
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 129
Number of rings: 5

     

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