COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016546
Chemical Name: (2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1ccc(cc1[N+](=O)[O-])C

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Molecular Weight: 385.76
Empirical Formula: C18H12ClN3O5

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 4.728
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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