COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL153770
Chemical Name: 4-[2-({[1-(dimethylamino)cyclohexyl]methyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)C1=C(C(=O)C1=O)NCC1(CCCCC1)N(C)C

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Molecular Weight: 348.45
Empirical Formula: C18H28N4O3

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: -0.054
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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