COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091080
Chemical Name: 2-methylpropyl2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1cc(OC)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC(C)C)OC

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Molecular Weight: 457.57
Empirical Formula: C26H35NO6

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 83
Number of rings: 3

     

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