COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526127
Chemical Name: 8-ethyl-3,3-dimethyl-6-{4-[(4-nitrophenyl)carbonyl]piperazin-1-yl}-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 465.58
Empirical Formula: C24H27N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.413
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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