COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL002556
Chemical Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 327.36
Empirical Formula: C16H13N3O3S

Physical State: Dry powder
Available Amount: 5075 mg

Lipinsky:
logP: 4.29
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 126
Number of rings: 3

     

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