COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403264
Chemical Name: butane-1,4-diylbis[2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate]
Smiles: Cc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)(C)C

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Molecular Weight: 716.96
Empirical Formula: C40H48N2O6S2

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 6.239
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 167
Number of rings: 6

     

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