COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK716326
Chemical Name: N-[(1Z)-1-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]-4-nitrobenzamide
Smiles: COc1ccc(cc1)CCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 495.49
Empirical Formula: C27H21N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.728
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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