COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551733
Chemical Name: 7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-[(1S,5R)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-oxopropyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1
Smiles: COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

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Molecular Weight: 750.16
Empirical Formula: C37H36ClN3O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.231
Rotatable bonds: 9
H-donors: 2
H-acceptors: 12
PSA: 197
Number of rings: 7

     

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