COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170535
Chemical Name: ethyl4-(2-amino-7,7-dimethyl-3-nitro-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)C1C2=C(OC(=C1[N+](=O)[O-])N)CC(CC2=O)(C)C

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Molecular Weight: 386.4
Empirical Formula: C20H22N2O6

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 2.713
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 124
Number of rings: 3

     

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