COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550858
Chemical Name: (1S,5R)-3-{[(4-butyl-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CCCCc1cc(=O)oc2c1c(OCC(=O)N1C[C@H]3C[C@@H](C1)C1N(C3)C(=O)CCC1)cc1c2CCC(O1)(C)C

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Molecular Weight: 536.67
Empirical Formula: C31H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.516
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 85
Number of rings: 6

     

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