COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174842
Chemical Name: 5-(4-chlorophenyl)-1-{2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)N1N=C(CC1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 557.95
Empirical Formula: C27H20ClN7O5

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 2.193
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 143
Number of rings: 6

     

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