WSL

(2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol

Created:	2023-10-11
Last modified:	2023-12-06

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1 entries where WSL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	17

2D diagram of WSL

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Chemical Component Summary
Name	(2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol
Formula	C₁₅ H₁₄ Cl F N₆ O₂
Molecular Weight	364.762
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)CC(CO)N)Oc3c(cc(cn3)Cl)F
Canonical SMILES	CACTVS	3.385	N[C@H](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)C[C@@H](CO)N)Oc3c(cc(cn3)Cl)F
InChI	InChI	1.06	InChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m0/s1
InChIKey	InChI	1.06	VPYZGXYQYYTKOV-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	166021388

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