COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053557
Chemical Name: 2,5-bis{[bis(2-chloroethyl)amino]methyl}-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OCC)CCC(C(=O)c1ccc(cc1)OCC)CN(CCCl)CCCl)CCCl

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Molecular Weight: 662.52
Empirical Formula: C32H44Cl4N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.581
Rotatable bonds: 17
H-donors: 0
H-acceptors: 4
PSA: 59
Number of rings: 2

     

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