COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527524
Chemical Name: N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]naphthalene-1-carboxamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc2c1cccc2

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Molecular Weight: 549.91
Empirical Formula: C25H23Cl3N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.757
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 5

     

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