COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK611331
Chemical Name: (2E)-4-[5'-(1,3-benzodioxol-5-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrazol]-2'(4'H)-yl]-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)N1N=C(CC21C(=O)Nc1c2cccc1)c1ccc2c(c1)OCO2

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Molecular Weight: 405.37
Empirical Formula: C21H15N3O6

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.474
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 117
Number of rings: 5

     

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