COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK135283
Chemical Name: 2-({4-benzyl-5-[4-(propanoylamino)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)butanamide
Smiles: CCC(=O)Nc1ccc(cc1)c1nnc(n1Cc1ccccc1)SC(C(=O)Nc1ccc(cc1)Br)CC

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Molecular Weight: 578.53
Empirical Formula: C28H28BrN5O2S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 7.562
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 4

     

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