COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082894
Chemical Name: 2-methylpropyl2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CC(COC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)(C)C)C

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Molecular Weight: 387.54
Empirical Formula: C22H29NO3S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 4.224
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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