COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK402901
Chemical Name: cycloheptyl4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1

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Molecular Weight: 498.58
Empirical Formula: C27H34N2O7

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.8
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 130
Number of rings: 4

     

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