COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372581
Chemical Name: methyl4-(3-{(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Smiles: COCCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C(=O)OC)C)/C1=O

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Molecular Weight: 441.51
Empirical Formula: C22H23N3O5S

Physical State: Dry powder
Available Amount: 348 mg

Lipinsky:
logP: 3.273
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 121
Number of rings: 3

     

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