COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK882618
Chemical Name: N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-(3,4,5-trimethoxybenzyl)benzamide
Smiles: COc1cc(CN(C(=O)c2ccc(cc2)[N+](=O)[O-])C2CCS(=O)(=O)C2)cc(c1OC)OC

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Molecular Weight: 464.5
Empirical Formula: C21H24N2O8S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 0.567
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 136
Number of rings: 3

     

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