COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174978
Chemical Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-nitrophenoxy)propanamide
Smiles: N#Cc1c(NC(=O)C(Oc2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 427.52
Empirical Formula: C22H25N3O4S

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 5.683
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 136
Number of rings: 3

     

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