COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885958
Chemical Name: 2-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)N2CCN(CC2)Cc2ccccc2)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2

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Molecular Weight: 512.68
Empirical Formula: C30H32N4O2S

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 101
Number of rings: 5

     

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