COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL436919
Chemical Name: (3Z)-4-hydroxy-3-(hydroxyimino)-4-(nonafluorobutyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Smiles: O/N=C/1\C(=O)Nc2c(NC1(O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)cccc2

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Molecular Weight: 425.21
Empirical Formula: C13H8F9N3O3

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 4.429
Rotatable bonds: 5
H-donors: 4
H-acceptors: 3
PSA: 93
Number of rings: 2

     

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