COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534333
Chemical Name: 3-chloro-N'-[(E)-(4-methoxy-3-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}phenyl)methylidene]-1-benzothiophene-2-carbohydrazide
Smiles: COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=N/NC(=O)c1sc2c(c1Cl)cccc2

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Saltdata: CH3COOH
Molecular Weight: 547.08
Empirical Formula: C29H27ClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.376
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 6

     

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