COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK214558
Chemical Name: 3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
Smiles: CCCN1c2ccc(cc2C(C1=O)(O)CC(=O)/C=C/c1ccc2c(c1)OCO2)Br

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Molecular Weight: 458.31
Empirical Formula: C22H20BrNO5

Physical State: Dry powder
Available Amount: 638 mg

Lipinsky:
logP: 4.575
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 4

     

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