COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550421
Chemical Name: (6R,6aS)-N-[5-(1-methyl-1H-benzimidazol-2-yl)pentyl]-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: O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])NCCCCCc1nc2c(n1C)cccc2

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Molecular Weight: 580.69
Empirical Formula: C33H36N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.083
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 7

     

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