COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580161
Chemical Name: (4Z)-2-(5-chloro-2-methoxyphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N1C(=O)/C(=C\NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2)Cl

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Molecular Weight: 446.91
Empirical Formula: C21H19ClN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.976
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 4

     

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