COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK315435
Chemical Name: 2-nitroethyl2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-thiochromene-3-carboxylate
Smiles: COc1cccc(c1)C1C(=C(N)SC2=C1C(=O)CCC2)C(=O)OCC[N+](=O)[O-]

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Saltdata: HCl
Molecular Weight: 404.44
Empirical Formula: C19H20N2O6S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.15
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 149
Number of rings: 3

     

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