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Summary

Name:	5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
Formula:	C15 H13 F N4 O
Formal charge:	0
Formula weight:	284.288 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
OpenEye OEToolkits	2.0.7	5-fluoranyl-2-[[[3-(1~{H}-imidazol-4-yl)pyridin-2-yl]amino]methyl]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(CNc2ncccc2c2c[NH]cn2)c(O)c1
InChI	InChI	1.06	InChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)6-11)7-19-15-12(2-1-5-18-15)13-8-17-9-20-13/h1-6,8-9,21H,7H2,(H,17,20)(H,18,19)
InChIKey	InChI	1.06	GOBKDOPCDPTXFF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(F)ccc1CNc2ncccc2c3c[nH]cn3
SMILES	CACTVS	3.385	Oc1cc(F)ccc1CNc2ncccc2c3c[nH]cn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(nc1)NCc2ccc(cc2O)F)c3c[nH]cn3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(nc1)NCc2ccc(cc2O)F)c3c[nH]cn3

222415

數據於2024-07-10公開中

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