COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829163
Chemical Name: 4-tert-butyl-N-[(1Z)-1-{1-cyano-2-[(3-methoxypropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: COCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C(C)(C)C)/C#N

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Molecular Weight: 444.53
Empirical Formula: C26H28N4O3

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 2.702
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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