COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081746
Chemical Name: methyl6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)C#N)N

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Molecular Weight: 511.49
Empirical Formula: C24H25N5O8

Physical State: Dry powder
Available Amount: 524 mg

Lipinsky:
logP: 2.428
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 184
Number of rings: 3

     

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