COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593382
Chemical Name: methyl4-[({[5-(3-chlorophenyl)-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)OC)nnc1c1cccc(c1)Cl

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Molecular Weight: 442.93
Empirical Formula: C21H19ClN4O3S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 6.202
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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