COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546912
Chemical Name: (1S,5S)-N-[(2S)-1-{[2-(1H-indol-3-yl)ethyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: CSCC[C@@H](C(=O)NCCc1c[nH]c2c1cccc2)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 507.66
Empirical Formula: C27H33N5O3S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 2.063
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 122
Number of rings: 5

     

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