COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523888
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-1-{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2CCN(CC2)S(=O)(=O)c2c3CCN(Cc3c(c3c2OCO3)OC)C)ccc1OC

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Molecular Weight: 559.64
Empirical Formula: C27H33N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.225
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 115
Number of rings: 5

     

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