COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421249
Chemical Name: methyl2-{[(2,4-dinitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 405.39
Empirical Formula: C17H15N3O7S

Physical State: Dry powder
Available Amount: 2782 mg

Lipinsky:
logP: 5.312
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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