COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562417
Chemical Name: 2-(benzylsulfanyl)-5-hydroxy-7,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C2C(=C(O)CC(C2)(C)C)C1c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 490.62
Empirical Formula: C28H30N2O4S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.761
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 109
Number of rings: 4

     

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