COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554095
Chemical Name: methyl2-[(3aS,4R,9aS,9bR)-8-cyano-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizin-2(3H)-yl]benzoate
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1C(=O)OC)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 498.45
Empirical Formula: C26H18N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.278
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 153
Number of rings: 5

     

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