COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL465701
Chemical Name: (1S,5R)-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CC(CCN1C(=S)S/C(=C\N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O)C

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Molecular Weight: 403.57
Empirical Formula: C20H25N3O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.006
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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