COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185232
Chemical Name: (2E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[3,5-dibromo-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)Br)OCC#C)/C(=O)Nc1cccc(c1C)Cl

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Molecular Weight: 508.6
Empirical Formula: C20H13Br2ClN2O2

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 5.955
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 62
Number of rings: 2

     

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