COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528537
Chemical Name: (7S,10E)-1,2,3-trimethoxy-7-(methylamino)-10-[(1-phenylethyl)iminio]-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: CN[C@H]1CCc2c(c3c1cc([O-])/c(=[NH+]/C(c1ccccc1)C)/cc3)c(OC)c(c(c2)OC)OC

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Molecular Weight: 460.57
Empirical Formula: C28H32N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.884
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 76
Number of rings: 4

     

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