COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302303
Chemical Name: (1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1nn(cc1[N+](=O)[O-])CC

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Molecular Weight: 515.57
Empirical Formula: C28H29N5O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.638
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 5

     

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