COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK603255
Chemical Name: 2-[(1Z)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-5-(methylsulfanyl)-2-oxopentan-3-yl]-1H-isoindole-1,3(2H)-dione
Smiles: CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2

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Molecular Weight: 450.52
Empirical Formula: C24H22N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.851
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 5

     

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