COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528558
Chemical Name: (7S,10Z)-7-(acetylamino)-10-(dodecyliminio)-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: CCCCCCCCCCCC/[NH+]=c\1/ccc2c(cc1[O-])[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 552.75
Empirical Formula: C33H48N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.114
Rotatable bonds: 14
H-donors: 2
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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