MJX

{4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid

Created:	2022-03-16
Last modified:	2022-08-17

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1 entries where MJX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	6

2D diagram of MJX

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Chemical Component Summary
Name	{4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid
Systematic Name (OpenEye OEToolkits)	2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoic acid
Formula	C₁₈ H₂₇ N₅ O₂
Molecular Weight	345.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N=C(N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(=O)O)CC1
SMILES	CACTVS	3.385	NC(=N)c1ccc(cc1)N2CCN(CC2)C3CCN(CC3)CC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=N)N)N2CCN(CC2)C3CCN(CC3)CC(=O)O
Canonical SMILES	CACTVS	3.385	NC(=N)c1ccc(cc1)N2CCN(CC2)C3CCN(CC3)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\c1ccc(cc1)N2CCN(CC2)C3CCN(CC3)CC(=O)O)/N
InChI	InChI	1.03	InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25)
InChIKey	InChI	1.03	QGEGSJUSWLLZLH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	173614
ChEMBL	CHEMBL36326
ChEBI	CHEBI:92207

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