COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387965
Chemical Name: (2E)-3-(3-bromo-5-chloro-4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Br)OC)/C(=O)N1CCN(CC1)c1ccccc1

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Molecular Weight: 460.76
Empirical Formula: C21H19BrClN3O2

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 3.673
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 56
Number of rings: 3

     

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