COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758003
Chemical Name: 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1cc(c(s1)C)[N+](=O)[O-])CCCCCC2

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Molecular Weight: 342.42
Empirical Formula: C17H18N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.359
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 136
Number of rings: 3

     

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