COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527980
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-{[(1R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}prop-2-enamide
Smiles: O=C(NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 423.49
Empirical Formula: C22H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.034
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 5

     

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