COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543475
Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4,5-dimethoxybenzenesulfonamide
Smiles: COc1cc(c(cc1OC)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)S(=O)(=O)NCc1ccc2c(c1)OCO2

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Saltdata: H2O
Molecular Weight: 574.61
Empirical Formula: C30H26N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.55
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 128
Number of rings: 6

     

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