COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK305048
Chemical Name: 1-{2-[(7E)-7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Smiles: Clc1ccc(c(c1)Cl)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)F

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Molecular Weight: 700.38
Empirical Formula: C32H23Cl4FN6O3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.598
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 7

     

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