COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528363
Chemical Name: 1,2,3-trimethoxy-10-[4-(2-methoxyphenyl)piperazin-1-ium-1-ylidene]-7-(methylamino)-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: CNC1CCc2c(c3c1cc([O-])/c(=[N+]/1\CCN(CC1)c1ccccc1OC)/cc3)c(OC)c(c(c2)OC)OC

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Molecular Weight: 531.65
Empirical Formula: C31H37N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 78
Number of rings: 5

     

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