COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539913
Chemical Name: (1S,5R)-3-{[5-hydroxy-1-methyl-4-oxo-6-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)-1,4-dihydropyridin-2-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)n(c(c1O)CN1CCN(CC1)C/C=C/c1ccccc1)C

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Molecular Weight: 541.69
Empirical Formula: C32H39N5O3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.359
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 70
Number of rings: 6

     

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