COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040812
Chemical Name: 2,5-bis{[bis(2-chloroethyl)amino]methyl}-1,6-bis[4-(pentyloxy)phenyl]hexane-1,6-dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OCCCCC)CCC(C(=O)c1ccc(cc1)OCCCCC)CN(CCCl)CCCl)CCCl

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Molecular Weight: 746.68
Empirical Formula: C38H56Cl4N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.769
Rotatable bonds: 23
H-donors: 0
H-acceptors: 4
PSA: 59
Number of rings: 2

     

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