COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053829
Chemical Name: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 509.56
Empirical Formula: C27H31N3O7

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.588
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 129
Number of rings: 4

     

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