COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410592
Chemical Name: 5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CN1c2cccnc2Sc2c(C1=O)cccc2

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Molecular Weight: 461.54
Empirical Formula: C25H23N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.553
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 5

     

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