COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551500
Chemical Name: (6R,6aS)-3-nitro-10-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-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: O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])NCCCc1nnc2n1cccc2

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Molecular Weight: 539.59
Empirical Formula: C29H29N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.5
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 7

     

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