COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552815
Chemical Name: 6-(2-amino-2-oxoethyl)-4-methoxy-5-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1ccc(cc1)OC)[N+](CC2)(C)CC(=O)N

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Saltdata: I-
Molecular Weight: 453.48
Empirical Formula: C22H25N6O5

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: -1.182
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 123
Number of rings: 5

     

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