COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL006179
Chemical Name: 3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
Smiles: C=CCN1c2ccc(cc2C(C1=O)(O)CC(=O)/C=C/c1ccc2c(c1)OCO2)Br

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Molecular Weight: 456.29
Empirical Formula: C22H18BrNO5

Available Amount: 0 mg

Lipinsky:
logP: 4.349
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 4

     

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