COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886089
Chemical Name: 2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(c(c2)Cl)Cl)NC2=C(C1c1cccnc1)C(=O)CC(C2)(C)C

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Molecular Weight: 498.43
Empirical Formula: C25H21Cl2N3O2S

Physical State: Dry powder
Available Amount: 26 mg

Lipinsky:
logP: 4.75
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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