COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL081435
Chemical Name: N-(3-chlorophenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
Smiles: O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C(C)C)Nc1cccc(c1)Cl

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Molecular Weight: 425.87
Empirical Formula: C21H20ClN5O3

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 2.813
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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