COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540182
Chemical Name: 1,6-bis(4-butoxyphenyl)-2,5-bis[(ethylamino)methyl]hexane-1,6-dione
Smiles: CCNCC(C(=O)c1ccc(cc1)OCCCC)CCC(C(=O)c1ccc(cc1)OCCCC)CNCC

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Saltdata: 2 HCl
Molecular Weight: 524.74
Empirical Formula: C32H48N2O4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 7.088
Rotatable bonds: 17
H-donors: 2
H-acceptors: 4
PSA: 76
Number of rings: 2

     

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