JUR

1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide

Created:	2022-05-09
Last modified:	2023-04-05

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1 entries where JUR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	16

2D diagram of JUR

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Chemical Component Summary
Name	1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide
Formula	C₂₀ H₂₃ N₅ O
Molecular Weight	349.43
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1cc2cc(ccc2n1CCN3CCNCC3)c4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1c3ccncc3)cc(n2CCN4CCNCC4)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1cc2cc(ccc2n1CCN3CCNCC3)c4ccncc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1c3ccncc3)cc(n2CCN4CCNCC4)C(=O)N
InChI	InChI	1.06	InChI=1S/C20H23N5O/c21-20(26)19-14-17-13-16(15-3-5-22-6-4-15)1-2-18(17)25(19)12-11-24-9-7-23-8-10-24/h1-6,13-14,23H,7-12H2,(H2,21,26)
InChIKey	InChI	1.06	LCACVVKEXNYQMY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167530893

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