COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728355
Chemical Name: 2-{[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Smiles: O=C1N(/N=C/c2cc3OCOc3cc2Br)C(=O)C2C1C1CCC2C=C1

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Molecular Weight: 403.23
Empirical Formula: C18H15BrN2O4

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 2.451
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 6

     

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