COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK322877
Chemical Name: (2E)-2-(azepan-1-ylcarbonyl)-3-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccccc1)/C(=O)N1CCCCCC1

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Molecular Weight: 469.38
Empirical Formula: C24H25BrN2O3

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 5.59
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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