OFG

3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine

Created:	2013-10-21
Last modified:	2014-09-05

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1 entries where OFG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	22

2D diagram of OFG

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Chemical Component Summary
Name	3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Formula	C₁₉ H₁₈ F N₇ O
Molecular Weight	379.391
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(c(cc1)n2nccn2)C(Oc4cc(c3cnnc3C)cnc4N)C
SMILES	CACTVS	3.385	C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc3n4nccn4
SMILES	OpenEye OEToolkits	1.9.2	Cc1c(c[nH]n1)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F
Canonical SMILES	CACTVS	3.385	C[C@@H](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc3n4nccn4
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F
InChI	InChI	1.03	InChI=1S/C19H18FN7O/c1-11-16(10-23-26-11)13-7-18(19(21)22-9-13)28-12(2)15-8-14(20)3-4-17(15)27-24-5-6-25-27/h3-10,12H,1-2H3,(H2,21,22)(H,23,26)/t12-/m1/s1
InChIKey	InChI	1.03	PYGCMVOPOMFFCX-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3128074
PubChem	67462112
ChEMBL	CHEMBL3128074

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