COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528500
Chemical Name: (7S,10Z)-10-(butan-2-yliminio)-1,2,3-trimethoxy-7-(methylamino)-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: CCC(/[NH+]=c\1/ccc2c(cc1[O-])[C@@H](NC)CCc1c2c(OC)c(c(c1)OC)OC)C

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Molecular Weight: 412.53
Empirical Formula: C24H32N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.117
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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