COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015406
Chemical Name: 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(C)NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 361.27
Empirical Formula: C19H18Cl2N2O

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 4.024
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 52
Number of rings: 3

     

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