COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132924
Chemical Name: ethyl4-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}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)nnc1CNC(=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 539.61
Empirical Formula: C26H29N5O6S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 4.278
Rotatable bonds: 12
H-donors: 2
H-acceptors: 6
PSA: 158
Number of rings: 3

     

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