COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK658800
Chemical Name: methyl5-hydroxy-2,7,7-trimethyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccccc1[N+](=O)[O-]

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Molecular Weight: 370.41
Empirical Formula: C20H22N2O5

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 3.869
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 3

     

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