COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK202801
Chemical Name: 2-(benzylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)nc2c(c1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 458.58
Empirical Formula: C27H26N2O3S

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 5.734
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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