COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538029
Chemical Name: (1S,5S)-N-[(2S)-1-[(4-butoxyphenyl)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: CCCCOc1ccc(cc1)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCSC

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Molecular Weight: 512.67
Empirical Formula: C27H36N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.949
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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