NZF

(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide

Created:	2012-06-22
Last modified:	2012-08-24

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1 entries where NZF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	1
Bond Count	73
Aromatic Bond Count	18

2D diagram of NZF

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Chemical Component Summary
Name	(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	(3S)-N-[[3-(trifluoromethyloxy)phenyl]methyl]-1-[2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]piperidine-3-carboxamide
Formula	C₂₇ H₃₀ F₃ N₅ O₅
Molecular Weight	561.553
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)Oc1cccc(c1)CNC(=O)C4CCCN(c2nc(ncc2)Nc3cc(OC)c(OC)c(OC)c3)C4
SMILES	CACTVS	3.370	COc1cc(Nc2nccc(n2)N3CCC[CH](C3)C(=O)NCc4cccc(OC(F)(F)F)c4)cc(OC)c1OC
SMILES	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)OC(F)(F)F
Canonical SMILES	CACTVS	3.370	COc1cc(Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(OC(F)(F)F)c4)cc(OC)c1OC
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F
InChI	InChI	1.03	InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
InChIKey	InChI	1.03	LDRVTAIULYJYRP-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2023556
PubChem	53495177
ChEMBL	CHEMBL2023556

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