COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057030
Chemical Name: N-(4-bromophenyl)-2-{[3-cyano-5-hydroxy-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: COc1cc(cc(c1OC)OC)C1C(=C(SCC(=O)Nc2ccc(cc2)Br)N=C2C1=C(O)CCC2)C#N

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Molecular Weight: 584.49
Empirical Formula: C27H26BrN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.484
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 138
Number of rings: 4

     

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