COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002691
Chemical Name: 1,1'-[8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone
Smiles: CC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 454.53
Empirical Formula: C21H18N4O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.324
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 149
Number of rings: 4

     

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