COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186712
Chemical Name: 2-bromo-N-{[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)OCC)nnc1CNC(=O)c1ccccc1Br

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Molecular Weight: 530.45
Empirical Formula: C23H24BrN5O3S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 4.223
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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