COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK716327
Chemical Name: N-[(1Z)-1-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-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)NCCc1ccc(cc1)OC

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Molecular Weight: 495.49
Empirical Formula: C27H21N5O5

Physical State: Dry powder
Available Amount: 382 mg

Lipinsky:
logP: 2.678
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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