COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK724434
Chemical Name: ethyl4-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)CC=C)O)C(=O)CC(C2)(C)C

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Molecular Weight: 425.52
Empirical Formula: C25H31NO5

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 3.194
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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