COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523826
Chemical Name: (9-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl){4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}methanone
Smiles: COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(OC)c2c(c1)OCCCO2

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Molecular Weight: 575.64
Empirical Formula: C27H33N3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.766
Rotatable bonds: 4
H-donors: 0
H-acceptors: 9
PSA: 124
Number of rings: 6

     

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