COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182080
Chemical Name: 4-bromo-N-{[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: N#Cc1c(NC(=O)CSc2nnc(n2C)CNC(=O)c2ccc(cc2)Br)sc2c1CCCC2

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Molecular Weight: 545.48
Empirical Formula: C22H21BrN6O2S2

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 4.395
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 166
Number of rings: 4

     

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