COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594429
Chemical Name: N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3,4,5-trimethoxybenzamide
Smiles: CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1cc(OC)c(c(c1)OC)OC)/C#N

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Molecular Weight: 462.51
Empirical Formula: C25H26N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.571
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 122
Number of rings: 3

     

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