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Summary Geometry Related PDB entries

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Summary

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(CNc2ncccc2c2ncc[NH]2)c(O)c1
InChI	InChI	1.06	InChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19)
InChIKey	InChI	1.06	MFPPUJHTLAJSCS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(F)ccc1CNc2ncccc2c3[nH]ccn3
SMILES	CACTVS	3.385	Oc1cc(F)ccc1CNc2ncccc2c3[nH]ccn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(nc1)NCc2ccc(cc2O)F)c3[nH]ccn3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(nc1)NCc2ccc(cc2O)F)c3[nH]ccn3

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PDB entries from 2024-08-07

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