COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK475193
Chemical Name: (2E)-3-(2-chloro-5-nitrophenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(ccc1Cl)[N+](=O)[O-])/C(=O)Nc1ccc2c(c1)OCCO2

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Molecular Weight: 385.76
Empirical Formula: C18H12ClN3O5

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 3.763
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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