COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808171
Chemical Name: N-(3-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-4-(methylsulfonyl)-2-nitroaniline
Smiles: Cn1c(SCCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 491.55
Empirical Formula: C20H21N5O6S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.825
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 174
Number of rings: 4

     

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