COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543375
Chemical Name: (1S,5S)-N-[(2S)-3-methyl-1-oxo-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)butan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@H](C(=O)N1CCc2c(C1)[nH]c1c2cccc1)C(C)C

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Molecular Weight: 487.6
Empirical Formula: C28H33N5O3

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.681
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 88
Number of rings: 6

     

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