COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570965
Chemical Name: 4-(4-bromophenyl)-5-hydroxy-7,7-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccccc2)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Br

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Molecular Weight: 507.45
Empirical Formula: C26H23BrN2O2S

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 7.072
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 4

     

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