COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152687
Chemical Name: 3-(4-{2-[(furan-2-ylmethyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazin-1-yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NCc1ccco1

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Molecular Weight: 314.34
Empirical Formula: C16H18N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.209
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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