COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK836775
Chemical Name: 2-{4-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Smiles: OC(CN1C(=O)c2c(S1(=O)=O)cccc2)COc1ccc(cc1)N1C(=O)C2C(C1=O)CC=CC2

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Molecular Weight: 482.51
Empirical Formula: C24H22N2O7S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0.8
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 129
Number of rings: 5

     

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