COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991335
Chemical Name: N-{(1Z)-1-[1-cyano-2-(hexylamino)-2-oxoethylidene]-1H-isoindol-3-yl}-4-methylbenzamide
Smiles: CCCCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C)/C#N

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Molecular Weight: 414.51
Empirical Formula: C25H26N4O2

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 3.904
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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