COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL160379
Chemical Name: 4-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)C1=C(C(=O)C1=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 343.34
Empirical Formula: C17H17N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.233
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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