COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL363679
Chemical Name: (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)O)/C(=O)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 440.3
Empirical Formula: C21H18BrN3O3

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 3.488
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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