ELQ

[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone

Created:	2018-03-27
Last modified:	2018-12-19

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6 entries where ELQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of ELQ

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Chemical Component Summary
Name	[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
Systematic Name (OpenEye OEToolkits)	[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
Formula	C₁₂ H₁₄ F₂ N₂ O
Molecular Weight	240.249
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2
SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F
InChI	InChI	1.03	InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKey	InChI	1.03	ZCPNSVBDWJVJSY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	550711
ChEMBL	CHEMBL1451914

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