COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK657081
Chemical Name: 2-({3-[(1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: O=S1(=O)CCC(C1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 455.58
Empirical Formula: C19H21NO6S3

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 1.791
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 130
Number of rings: 4

     

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