COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553163
Chemical Name: N-{2-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}propan-2-aminium
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[NH2+]C(C)C

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Saltdata: Cl-
Molecular Weight: 499.67
Empirical Formula: C29H43N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.723
Rotatable bonds: 13
H-donors: 2
H-acceptors: 5
PSA: 73
Number of rings: 3

     

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