COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK626904
Chemical Name: (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC1CCCC[NH+]1Cc1c([O-])ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=O

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Molecular Weight: 401.86
Empirical Formula: C22H21ClFNO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.991
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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