COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK723180
Chemical Name: 9-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C

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Molecular Weight: 505.57
Empirical Formula: C28H31N3O6

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 3.905
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 116
Number of rings: 5

     

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