COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525673
Chemical Name: 2,5-bis{[bis(2-chloroethyl)amino]methyl}-1,6-bis(4-butoxyphenyl)hexane-1,6-dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OCCCC)CCC(C(=O)c1ccc(cc1)OCCCC)CN(CCCl)CCCl)CCCl

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Saltdata: 2 HCl
Molecular Weight: 718.63
Empirical Formula: C36H52Cl4N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.706
Rotatable bonds: 21
H-donors: 0
H-acceptors: 4
PSA: 59
Number of rings: 2

     

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