COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829152
Chemical Name: N-[(1Z)-1-{1-cyano-2-[(2-methoxyethyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-nitrobenzamide
Smiles: COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 419.4
Empirical Formula: C21H17N5O5

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 0.758
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 3

     

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