COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL352258
Chemical Name: 4-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]carbonyl}-2-(2-methylpropyl)isoquinolin-1(2H)-one
Smiles: CC(Cn1cc(C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)c2c(c1=O)cccc2)C

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Molecular Weight: 431.56
Empirical Formula: C22H29N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.84
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 4

     

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