COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL162824
Chemical Name: 3-(4-benzylpiperazin-1-yl)-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}cyclobut-3-ene-1,2-dione
Smiles: O=C1C(=O)C(=C1N1CCN(CC1)Cc1ccccc1)NCc1c(C)nn(c1C)C

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Molecular Weight: 393.49
Empirical Formula: C22H27N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.393
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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