COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK507025
Chemical Name: 4-[(2-carboxylatophenyl)amino]-3,3-dimethyl-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxylate
Smiles: [O-]C(=O)c1ccccc1NC1c2cccc(c2NC(C1(C)C)C(C)C)C(=O)[O-]

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Saltdata: 2K+
Molecular Weight: 380.44
Empirical Formula: C22H24N2O4

Physical State: Dry powder
Available Amount: 386 mg

Lipinsky:
logP: 6.974
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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