COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186775
Chemical Name: N-{2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide
Smiles: CCn1c(CCNC(=O)c2ccc(c(c2)Cl)Cl)nnc1SCC(=O)Nc1ccc(cc1)Br

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Molecular Weight: 557.3
Empirical Formula: C21H20BrCl2N5O2S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 5.856
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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