COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808161
Chemical Name: 4-(methylsulfonyl)-N-(3-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-2-nitroaniline
Smiles: [O-][N+](=O)c1cc(ccc1NCCCSc1nnc(n1C)c1cccs1)S(=O)(=O)C

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Molecular Weight: 453.57
Empirical Formula: C17H19N5O4S3

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.016
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 184
Number of rings: 3

     

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