COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545644
Chemical Name: (1S,5R)-3-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CSCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1nc(C)cc(n1)C

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Molecular Weight: 427.57
Empirical Formula: C22H29N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.329
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 4

     

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