COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087313
Chemical Name: propan-2-yl2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CC(OC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C)C

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Molecular Weight: 359.49
Empirical Formula: C20H25NO3S

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 3.233
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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