COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK404873
Chemical Name: 3-cycloheptyl6-methyl4-(3-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)O)C(=C(N2)C)C(=O)OC1CCCCCC1

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Molecular Weight: 467.56
Empirical Formula: C27H33NO6

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 4.011
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 101
Number of rings: 4

     

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