COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569418
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[3-(dimethylammonio)propyl]-1-ethyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: CCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CCC[NH+](C)C

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Molecular Weight: 491.54
Empirical Formula: C27H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.018
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 103
Number of rings: 5

     

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