COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559084
Chemical Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: C=CCC1(C#N)C(=NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)S

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Molecular Weight: 429.38
Empirical Formula: C21H21BrN2OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.631
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 92
Number of rings: 3

     

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