COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528490
Chemical Name: (7S,10Z)-7-(acetylamino)-10-{[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: COc1c2c(CC[C@@H](c3c2cc/c(=[NH+]/CCCN2CCCc4c2cccc4)/c(c3)[O-])NC(=O)C)cc(c1OC)OC

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Molecular Weight: 557.69
Empirical Formula: C33H39N3O5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.083
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 97
Number of rings: 5

     

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