COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL175900
Chemical Name: 1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(3-bromophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Smiles: Brc1cccc(c1)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1

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Molecular Weight: 623.51
Empirical Formula: C32H27BrN6O3

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 4.2
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 7

     

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