COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009446
Chemical Name: cyclopentyl4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1

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Molecular Weight: 453.58
Empirical Formula: C27H35NO5

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 4.44
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 4

     

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