JXP

7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Created:	2018-10-09
Last modified:	2019-02-06

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1 entries where JXP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	22

2D diagram of JXP

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Chemical Component Summary
Name	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Systematic Name (OpenEye OEToolkits)	7-[[2-chloranyl-5-(3-fluorophenyl)phenyl]methoxy]-1~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula	C₁₈ H₁₃ Cl F N₅ O
Molecular Weight	369.78
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N
SMILES	CACTVS	3.385	Nc1cc(OCc2cc(ccc2Cl)c3cccc(F)c3)c4[nH]nnc4n1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl
Canonical SMILES	CACTVS	3.385	Nc1cc(OCc2cc(ccc2Cl)c3cccc(F)c3)c4[nH]nnc4n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl
InChI	InChI	1.03	InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
InChIKey	InChI	1.03	ZMHGTFZMJCIDLN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126648919

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