COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576696
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[3-(dimethylammonio)propyl]-2,4',5'-trioxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CCC[NH+](C)C

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Molecular Weight: 505.57
Empirical Formula: C28H31N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.55
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 103
Number of rings: 5

     

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