COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540503
Chemical Name: 2-[(3aR,4R,7S,7aS)-5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]pentanedioicacid
Smiles: BrC1[C@@H]2C[C@H](C1Br)[C@H]1[C@@H]2C(=O)N(C1=O)C(C(=O)O)CCC(=O)O

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Molecular Weight: 453.08
Empirical Formula: C14H15Br2NO6

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 0.431
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 111
Number of rings: 3

     

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