COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528405
Chemical Name: (7S,10Z)-7-(acetylamino)-10-(butan-2-yliminio)-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: CCC(/[NH+]=c\1/ccc2c(cc1[O-])[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 440.54
Empirical Formula: C25H32N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.68
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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