COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957141
Chemical Name: (2E)-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 449.55
Empirical Formula: C26H31N3O4

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 5.756
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 6

     

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