COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528333
Chemical Name: 4-(3,3-dimethyl-1-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridinium-5-yl)-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])C1[NH2+]c2ccc3c(c2C2=C1CC(C)(C)CC2=O)cccc3

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Molecular Weight: 399.49
Empirical Formula: C26H25NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.488
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 65
Number of rings: 5

     

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