COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075048
Chemical Name: 4-(3,4-dimethoxyphenyl)-2-(ethylsulfanyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 398.53
Empirical Formula: C22H26N2O3S

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 3.203
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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