COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781175
Chemical Name: 7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(cc1[N+](=O)[O-])C

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Molecular Weight: 484.58
Empirical Formula: C27H24N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.317
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 5

     

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