COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK524830
Chemical Name: {[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}aceticacid
Smiles: N#CC1=C(SCC(=O)O)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 402.9
Empirical Formula: C20H19ClN2O3S

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 3.635
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 115
Number of rings: 3

     

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