COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331425
Chemical Name: 10a-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3-dioxo-4-phenyl-1,2,3,5,10,10a-hexahydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium(non-preferredname)
Smiles: COc1ccc(cc1)N1C(=O)C(=O)C2=C(Nc3c([NH2+]C12C(=O)OC)cccc3)c1ccccc1

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Saltdata: Cl-
Molecular Weight: 456.48
Empirical Formula: C26H22N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.549
Rotatable bonds: 2
H-donors: 3
H-acceptors: 5
PSA: 101
Number of rings: 5

     

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