COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL156376
Chemical Name: 4-(2-{[2-(4-methylpiperazin-1-yl)-2-phenylethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)C1=C(C(=O)C1=O)NCC(c1ccccc1)N1CCN(CC1)C

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Molecular Weight: 411.5
Empirical Formula: C22H29N5O3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -0.752
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 76
Number of rings: 4

     

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