COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL154337
Chemical Name: 3-[(1,3-benzodioxol-5-ylmethyl)amino]-4-{[3-(dimethylamino)propyl]amino}cyclobut-3-ene-1,2-dione
Smiles: CN(CCCNC1=C(C(=O)C1=O)NCc1ccc2c(c1)OCO2)C

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Molecular Weight: 331.37
Empirical Formula: C17H21N3O4

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 0.488
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 79
Number of rings: 3

     

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