RXZ

SPHINX31

Created:	2017-01-26
Last modified:	2017-05-10

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1 entries where RXZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	0
Bond Count	65
Aromatic Bond Count	23

2D diagram of RXZ

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Chemical Component Summary
Name	SPHINX31
Systematic Name (OpenEye OEToolkits)	5-pyridin-4-yl-~{N}-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
Formula	C₂₇ H₂₄ F₃ N₅ O₂
Molecular Weight	507.507
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)(F)c1ccc(N2CCN(CC2)Cc3ccccn3)c(NC(=O)c4oc(cc4)c5ccncc5)c1
SMILES	OpenEye OEToolkits	2.0.6	c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1ccc(N2CCN(CC2)Cc3ccccn3)c(NC(=O)c4oc(cc4)c5ccncc5)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)
InChIKey	InChI	1.03	VURLRACCOCGFDB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91972002

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