COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000846
Chemical Name: N- [4,4- dibromo- 5- oxo- 1- (2,4,6- trichlorophenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]- 2,2- dimethylpropanamide
Smiles: O=C(C(C)(C)C)NC1=NN(C(=O)C1(Br)Br)c1c(Cl)cc(cc1Cl)Cl

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Molecular Weight: 520.43
Empirical Formula: C14H12Br2Cl3N3O2

Physical State: Dry powder
Available Amount: 7395 mg

Lipinsky:
logP: 4.812
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 61
Number of rings: 2

     

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