COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535241
Chemical Name: 2,7-bis[(diethylamino)methyl]-1,8-bis(4-ethoxyphenyl)octane-1,8-dione
Smiles: CCN(CC(C(=O)c1ccc(cc1)OCC)CCCCC(C(=O)c1ccc(cc1)OCC)CN(CC)CC)CC

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Saltdata: 2 HCl
Molecular Weight: 552.8
Empirical Formula: C34H52N2O4

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 7.825
Rotatable bonds: 15
H-donors: 0
H-acceptors: 4
PSA: 59
Number of rings: 2

     

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