WGA

(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol

Created:	2020-10-29
Last modified:	2020-11-25

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1 entries where WGA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	6

2D diagram of WGA

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Chemical Component Summary
Name	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
Systematic Name (OpenEye OEToolkits)	(3~{S})-1-(3-fluoranylpyridin-2-yl)-4,4-dimethyl-pyrrolidin-3-ol
Formula	C₁₁ H₁₅ F N₂ O
Molecular Weight	210.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2ccnc(N1CC(C(C)(C1)C)O)c2F
SMILES	CACTVS	3.385	CC1(C)CN(C[CH]1O)c2ncccc2F
SMILES	OpenEye OEToolkits	2.0.7	CC1(CN(CC1O)c2c(cccn2)F)C
Canonical SMILES	CACTVS	3.385	CC1(C)CN(C[C@H]1O)c2ncccc2F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1(CN(C[C@H]1O)c2c(cccn2)F)C
InChI	InChI	1.03	InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
InChIKey	InChI	1.03	UEGVWHVSUHDHHI-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	129479886

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