COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672007
Chemical Name: 3-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl3-bromobenzoate
Smiles: Brc1cccc(c1)C(=O)Oc1cccc(c1)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1

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Molecular Weight: 612.44
Empirical Formula: C31H22BrN3O6

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 7.852
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 115
Number of rings: 5

     

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