COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545791
Chemical Name: (1S,5R)-3-{[5-hydroxy-4-oxo-6-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)-4H-pyran-2-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Oc1c(=O)cc(oc1CN1CCN(CC1)C/C=C/c1ccccc1)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Saltdata: 2 HCl
Molecular Weight: 528.65
Empirical Formula: C31H36N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.592
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 6

     

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