COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543108
Chemical Name: (6aR,6bS,9aR,10S)-8-(4-acetylphenyl)-10-[(4-bromophenyl)carbonyl]-2-chloro-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1c1cc(Cl)ccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)C(=O)C

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Molecular Weight: 575.85
Empirical Formula: C29H20BrClN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.881
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 74
Number of rings: 6

     

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