COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL200188
Chemical Name: ethyl2-[({[5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC=C)CSc2nc(N)cc(n2)N)sc(c1C)C

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Molecular Weight: 534.69
Empirical Formula: C21H26N8O3S3

Available Amount: 0 mg

Lipinsky:
logP: 5.688
Rotatable bonds: 10
H-donors: 5
H-acceptors: 3
PSA: 242
Number of rings: 3

     

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