COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL305906
Chemical Name: ethyl4-(2,5-dimethyl-3-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrol-1-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1nnc2n1c1ccccc1c(c2)C

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Molecular Weight: 498.61
Empirical Formula: C28H26N4O3S

Available Amount: 0 mg

Lipinsky:
logP: 7.638
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 103
Number of rings: 5

     

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