COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536486
Chemical Name: (2E)-3-(2,4-dimethoxyphenyl)-N-{6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridin-3-yl}prop-2-enamide
Smiles: COc1ccc(c(c1)OC)/C=C/C(=O)Nc1ccc(nc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Saltdata: HCl
Molecular Weight: 472.54
Empirical Formula: C27H28N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.806
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 84
Number of rings: 5

     

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