COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528326
Chemical Name: (7S,10Z)-10-{[2-(4-fluorophenyl)ethyl]iminio}-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: COc1c2c(CC[C@@H](c3c2cc/c(=[NH+]/CCc2ccc(cc2)F)/c(c3)[O-])N(Cc2ccccc2O)C)cc(c1OC)OC

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Molecular Weight: 584.69
Empirical Formula: C35H37FN2O5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 5.323
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 88
Number of rings: 5

     

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