COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576008
Chemical Name: (4E)-2-(3-bromophenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Brc1cccc(c1)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2

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Molecular Weight: 461.34
Empirical Formula: C20H17BrN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.146
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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