COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411166
Chemical Name: 3-[(3,4-dimethoxybenzyl)amino]-4-({[1-(dimethylamino)cyclohexyl]methyl}amino)cyclobut-3-ene-1,2-dione
Smiles: COc1cc(CNC2=C(C(=O)C2=O)NCC2(CCCCC2)N(C)C)ccc1OC

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Molecular Weight: 401.51
Empirical Formula: C22H31N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.013
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 79
Number of rings: 3

     

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