COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539302
Chemical Name: (6aS,6bR,9aS,10R)-10-[(4-bromophenyl)carbonyl]-3-chloro-8-(2-methyl-5-nitrophenyl)-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]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cc(ccc1C)[N+](=O)[O-])C=Cc1c2ccc(c1)Cl

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Molecular Weight: 592.83
Empirical Formula: C28H19BrClN3O5

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.288
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 6

     

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