COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551971
Chemical Name: (3'E)-7-chloro-4,6-dimethoxy-6'-methyl-3'-{[(2-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}ethyl)amino]methylidene}-2'H,3H,4'H-spiro[1-benzofuran-2,1'
Smiles: COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)/C(=C\NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O)Cl

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Molecular Weight: 646.12
Empirical Formula: C30H32ClN3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.879
Rotatable bonds: 5
H-donors: 1
H-acceptors: 9
PSA: 157
Number of rings: 6

     

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