COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK756592
Chemical Name: 9-[4-(dimethylamino)-3-nitrophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(c(c1)[N+](=O)[O-])N(C)C)C1=C(O2)CC(CC1=O)(C)C

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Molecular Weight: 438.52
Empirical Formula: C25H30N2O5

Physical State: Dry powder
Available Amount: 18 mg

Lipinsky:
logP: 4.049
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 92
Number of rings: 4

     

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