COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367611
Chemical Name: (2E)-3-[4-(1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)N1Cc2c(C1)cccc2)/C(=O)N1CCN(CC1)c1ccccc1

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Molecular Weight: 434.54
Empirical Formula: C28H26N4O

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 3.977
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 50
Number of rings: 5

     

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