COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK064768
Chemical Name: cyclopentyl2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)OC1CCCC1

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Molecular Weight: 478.57
Empirical Formula: C26H26N2O5S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 4.212
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 5

     

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