COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536771
Chemical Name: (6aR,6bS,9aR,10S)-8-(2-chloro-5-nitrophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-benzo[f]pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccc3c(c1C=C2)cccc3)c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 549.97
Empirical Formula: C31H20ClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.911
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 7

     

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