COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673687
Chemical Name: 5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3

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Molecular Weight: 588.58
Empirical Formula: C33H27F3N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.145
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 6

     

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