COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553064
Chemical Name: 4-methoxy-6-methyl-5-[3-({4-[(4-nitrophenyl)sulfanyl]phenyl}amino)prop-1-yn-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(C#CCNc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])[NH+](CC2)C

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Saltdata: Cl-
Molecular Weight: 504.59
Empirical Formula: C27H26N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.334
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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