COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL395796
Chemical Name: (1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7Z)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1N=C2C(C1c1ccc(cc1)C)CCC/C/2=C/c1ccc(cc1)C

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Molecular Weight: 483.57
Empirical Formula: C28H29N5O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.698
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 5

     

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