COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL162056
Chemical Name: 3-{4-[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NC1CCCCC1

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Molecular Weight: 316.4
Empirical Formula: C17H24N4O2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 0.71
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 76
Number of rings: 3

     

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