COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675122
Chemical Name: (3E)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-[(3-bromo-4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
Smiles: O=C1N(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(/C/1=N\c1ccc(c(c1)Br)C)cccc2

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Molecular Weight: 547.45
Empirical Formula: C28H27BrN4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.29
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 57
Number of rings: 6

     

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