COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526029
Chemical Name: (1S,5S)-3-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 564.67
Empirical Formula: C28H32N6O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.463
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 134
Number of rings: 6

     

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