COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562059
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-12-oxo-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)CCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)NC(=O)C

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Molecular Weight: 601.66
Empirical Formula: C32H35N5O7

Available Amount: 0 mg

Lipinsky:
logP: 1.815
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 146
Number of rings: 6

     

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