COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK305112
Chemical Name: 5-(2,6-dimethylphenyl)-1-[2-(3,5-diphenyl-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: O=C(N1N=C(CC1c1ccccc1)c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C

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Molecular Weight: 506.56
Empirical Formula: C29H26N6O3

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 2.303
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 6

     

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