COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL249026
Chemical Name: 4-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]carbonyl}-2-(2-methoxyethyl)isoquinolin-1(2H)-one
Smiles: COCCn1cc(C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)c2c(c1=O)cccc2

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Molecular Weight: 433.53
Empirical Formula: C21H27N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.56
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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