COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075581
Chemical Name: 2-{3-[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: CCN1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Physical State: Dry powder
Available Amount: 286 mg

Lipinsky:
logP: 3.814
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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