COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829181
Chemical Name: N-{(1Z)-1-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1H-isoindol-3-yl}-4-nitrobenzamide
Smiles: CCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 403.4
Empirical Formula: C21H17N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.81
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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