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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
Formula:	C15 H14 Cl F N6 O2
Formal charge:	0
Formula weight:	364.762 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(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

Chemical Descriptors

Type	Program	Version	Descriptor
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
SMILES_CANONICAL	CACTVS	3.385	N[C@H](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2
SMILES	CACTVS	3.385	N[CH](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)C[C@@H](CO)N)Oc3c(cc(cn3)Cl)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)CC(CO)N)Oc3c(cc(cn3)Cl)F

227344

数据于2024-11-13公开中

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