COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553167
Chemical Name: (1R,5R)-3-[2-hydroxy-3-(2-methyl-1-oxo-1,2,3,4-tetrahydro-9H-beta-carbolin-9-yl)propyl]-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium
Smiles: OC(Cn1c2C(=O)N(C)CCc2c2c1cccc2)C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Saltdata: Cl-
Molecular Weight: 447.56
Empirical Formula: C26H31N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.39
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 70
Number of rings: 6

     

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