COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL401851
Chemical Name: (2E)-1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Smiles: COc1ccc(cc1Cn1ccc(n1)[N+](=O)[O-])/C=C/C(=O)c1cnn(c1C)C

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Molecular Weight: 381.39
Empirical Formula: C19H19N5O4

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 2.249
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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