COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL159079
Chemical Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-{[2-(3-fluorophenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
Smiles: Fc1cccc(c1)CCNC1=C(C(=O)C1=O)N1CCN(CC1)c1cccc(c1)Cl

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Molecular Weight: 413.88
Empirical Formula: C22H21ClFN3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.447
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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