COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553043
Chemical Name: 5-(3-{4-chloro-2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}prop-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1C=C1C(=O)N(C)C(=O)N(C1=O)C)Cl)[NH+](CC2)C

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Saltdata: Cl-
Molecular Weight: 552.99
Empirical Formula: C28H27ClN3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.405
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 99
Number of rings: 5

     

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