COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016342
Chemical Name: cycloheptyl4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1

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Molecular Weight: 486.45
Empirical Formula: C26H32BrNO3

Physical State: Dry powder
Available Amount: 194 mg

Lipinsky:
logP: 6.072
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 4

     

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