COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550910
Chemical Name: (6R,6aS)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-nitro-10-oxo-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2':5,6][1,5]diazocino[1,2-a]quinoline-6-carboxamide
Smiles: CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-]

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Molecular Weight: 584.7
Empirical Formula: C31H32N6O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.821
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 152
Number of rings: 7

     

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