COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563543
Chemical Name: 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridinium-5-yl)-2,6-dimethoxyphenolate
Smiles: COc1cc(cc(c1[O-])OC)C1[NH2+]c2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3

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Molecular Weight: 429.52
Empirical Formula: C27H27NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.277
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 75
Number of rings: 5

     

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