COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK129589
Chemical Name: N-{4-[4-benzyl-5-({2-[(4-bromo-2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}-3-methylbenzamide
Smiles: O=C(Nc1ccc(cc1Cl)Br)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)NC(=O)c1cccc(c1)C

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Molecular Weight: 646.99
Empirical Formula: C31H25BrClN5O2S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 8.297
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 5

     

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