COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535051
Chemical Name: (1S,5S)-3-{[2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(c1ccc2c(c1)sc(n2)n1cccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 416.5
Empirical Formula: C23H20N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.494
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 86
Number of rings: 6

     

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