COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780885
Chemical Name: 2-[7,7-dimethyl-4-(3-nitrophenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 489.6
Empirical Formula: C27H27N3O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.205
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 135
Number of rings: 5

     

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