COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK305599
Chemical Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(4-bromo-3-nitro-1H-pyrazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone
Smiles: O=C(N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCO2)C[C@]12CC3CC(C1)CC(C2)(C3)n1nc(c(c1)Br)[N+](=O)[O-]

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Molecular Weight: 648.51
Empirical Formula: C31H30BrN5O6

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 4.019
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 135
Number of rings: 9

     

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