COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051238
Chemical Name: (3aS,9bR)-2-benzyl-8-(4-nitrobenzyl)-4-[(4-nitrophenyl)carbonyl]-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: O=C(C1N2C=CC(=CC2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)Cc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 564.55
Empirical Formula: C31H24N4O7

Physical State: Dry powder
Available Amount: 178 mg

Lipinsky:
logP: 5.601
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 149
Number of rings: 6

     

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