COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553964
Chemical Name: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)Cl

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Molecular Weight: 465.85
Empirical Formula: C22H16ClN5O5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.752
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 127
Number of rings: 5

     

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