COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051519
Chemical Name: 2-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(2,3-dichlorophenyl)-5-hydroxy-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCCCC(=O)c2ccc(cc2)C(C)(C)C)N=C2C(=C(O)CCC2)C1c1cccc(c1Cl)Cl

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Molecular Weight: 553.55
Empirical Formula: C30H30Cl2N2O2S

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 8.042
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 4

     

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