COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537375
Chemical Name: ethyl(6aR,6bS,9aR,10S)-8-(2-chloro-5-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-benzo[f]pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccc3c(c1C=C2)cccc3)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 517.93
Empirical Formula: C27H20ClN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.031
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 112
Number of rings: 6

     

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