COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171529
Chemical Name: methyl2-({[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C

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Molecular Weight: 421.41
Empirical Formula: C21H19N5O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.779
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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