COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780178
Chemical Name: 3-nitro-4-[(2,4,4-trimethylpentan-2-yl)amino]-2H-thiochromen-2-one
Smiles: [O-][N+](=O)c1c(=O)sc2c(c1NC(CC(C)(C)C)(C)C)cccc2

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Molecular Weight: 334.44
Empirical Formula: C17H22N2O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.97
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 2

     

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