COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065168
Chemical Name: cycloheptyl2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C)OC1CCCCCC1

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Molecular Weight: 413.58
Empirical Formula: C24H31NO3S

Physical State: Dry powder
Available Amount: 441 mg

Lipinsky:
logP: 4.978
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 4

     

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