COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826726
Chemical Name: 2-{[3-(4-tert-butylphenyl)-3-oxopropyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCCC(=O)c2ccc(cc2)C(C)(C)C)NC2=C(C1c1ccco1)C(=O)CCC2

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Molecular Weight: 460.6
Empirical Formula: C27H28N2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.585
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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