COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539715
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)prop-2-enamide
Smiles: O=C(Nc1ccc2c(c1)C(=O)N1CCCC1C(=N2)O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 405.41
Empirical Formula: C22H19N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.894
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 5

     

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