COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040662
Chemical Name: 3-ethyl7-methyl8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Smiles: CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OC)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 500.56
Empirical Formula: C22H20N4O6S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.311
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 167
Number of rings: 4

     

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