COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527468
Chemical Name: (1S,5R)-3-(3-{(E)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CCOCCCN1C(=S)S/C(=C/c2c(nc3n(c2=O)cccc3)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O

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Molecular Weight: 563.7
Empirical Formula: C28H29N5O4S2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0.423
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 143
Number of rings: 6

     

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