COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185229
Chemical Name: (2E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enamide
Smiles: C#CCOc1c(I)cc(cc1OCC)/C=C(/C(=O)Nc1cccc(c1C)Cl)\C#N

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Molecular Weight: 520.75
Empirical Formula: C22H18ClIN2O3

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 6.075
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 2

     

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