COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550974
Chemical Name: 9,10-dimethoxy-6-{6-[(1S,5R)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-6-oxohexyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2N(CCCCCC(=O)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)c(cc2)[N+](=O)[O-])C(=O)c2c1cccc2

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Molecular Weight: 641.68
Empirical Formula: C34H35N5O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.265
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 145
Number of rings: 7

     

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