0I1

(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone

Created:	2021-06-09
Last modified:	2022-07-27

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1 entries where 0I1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	12

2D diagram of 0I1

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Chemical Component Summary
Name	(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
Systematic Name (OpenEye OEToolkits)	(3-fluoranylazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone
Formula	C₁₉ H₂₀ F₂ N₄ O
Molecular Weight	358.385
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1CN(C1)C(=O)C1CCN(CC1)c1cncnc1c1ccc(F)cc1
SMILES	CACTVS	3.385	FC1CN(C1)C(=O)C2CCN(CC2)c3cncnc3c4ccc(F)cc4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c(cncn2)N3CCC(CC3)C(=O)N4CC(C4)F)F
Canonical SMILES	CACTVS	3.385	FC1CN(C1)C(=O)C2CCN(CC2)c3cncnc3c4ccc(F)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c(cncn2)N3CCC(CC3)C(=O)N4CC(C4)F)F
InChI	InChI	1.03	InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2
InChIKey	InChI	1.03	UTHXOPCOQREWLE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76283989
ChEMBL	CHEMBL4558147

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