COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079670
Chemical Name: ethyl4-{[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1Cc1csc(n1)N

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Molecular Weight: 458.57
Empirical Formula: C20H22N6O3S2

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 3.698
Rotatable bonds: 9
H-donors: 3
H-acceptors: 3
PSA: 178
Number of rings: 3

     

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