COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186603
Chemical Name: propan-2-yl3-[({[5-({[(3-methylphenyl)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)Nc2cccc(c2)C(=O)OC(C)C)nnc1CNC(=O)c1cccc(c1)C

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Molecular Weight: 507.61
Empirical Formula: C26H29N5O4S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 5.047
Rotatable bonds: 11
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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