COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043859
Chemical Name: [(5-{[(4-ammonio-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Smiles: [O-]C(=O)CSc1nnc(n1c1ccccc1)CSc1nc2sc3c(c2c(n1)[NH3+])CCCC3

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Molecular Weight: 484.63
Empirical Formula: C21H20N6O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.304
Rotatable bonds: 5
H-donors: 3
H-acceptors: 2
PSA: 203
Number of rings: 5

     

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