COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL426026
Chemical Name: 3-hydroxy-6-(piperidin-1-ylmethyl)-2-{[4-(pyrrolidin-1-ylsulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Smiles: Oc1c(=O)cc(oc1CN1CCCN(CC1)S(=O)(=O)N1CCCC1)CN1CCCCC1

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Molecular Weight: 454.59
Empirical Formula: C21H34N4O5S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 0.832
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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