COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052236
Chemical Name: N-{(1Z)-1-[1-cyano-2-(morpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}-3-nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)N1CCOCC1

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Molecular Weight: 431.41
Empirical Formula: C22H17N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.442
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 4

     

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