COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL122916
Chemical Name: methyl3-[({[5-(2-methyl-1-{[(4-methylphenyl)carbonyl]amino}propyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC)nnc1C(C(C)C)NC(=O)c1ccc(cc1)C

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Molecular Weight: 521.64
Empirical Formula: C27H31N5O4S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 5.394
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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