COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK603120
Chemical Name: 2-[4-(methylsulfanyl)-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-1-oxobutan-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

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Molecular Weight: 480.58
Empirical Formula: C26H28N2O5S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.097
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 101
Number of rings: 5

     

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