COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409723
Chemical Name: 5-{2-[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Smiles: O=C(N1CCN(CC1)C1CCS(=O)(=O)C1)CN1c2cccnc2Sc2c(C1=O)cccc2

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Molecular Weight: 472.59
Empirical Formula: C22H24N4O4S2

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: -0.349
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 124
Number of rings: 5

     

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