COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182102
Chemical Name: 3-[({[5-({[(2-bromophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CNC(=O)c1ccccc1Br

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Molecular Weight: 530.4
Empirical Formula: C22H20BrN5O4S

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 3.916
Rotatable bonds: 10
H-donors: 3
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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