COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553727
Chemical Name: (3aS,4R,9aS,9bR)-2-(2-methoxy-5-nitrophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cc(ccc1OC)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 515.44
Empirical Formula: C25H17N5O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.112
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 182
Number of rings: 5

     

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