COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076897
Chemical Name: methyl2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC

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Molecular Weight: 383.49
Empirical Formula: C23H29NO4

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: 3.654
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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