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Summary Geometry Related PDB entries

7CE

Summary

Name:	N-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
Formula:	C17 H14 N4 O2
Formal charge:	0
Formula weight:	306.319 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
OpenEye OEToolkits	1.9.2	N-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cc(oc1)c4nc3c(cnc(Nc2ccccc2OC)c3)c4
InChI	InChI	1.03	InChI=1S/C17H14N4O2/c1-22-15-5-3-2-4-12(15)21-17-7-13-11(8-19-17)6-14(20-13)16-9-18-10-23-16/h2-10,20H,1H3,(H,19,21)
InChIKey	InChI	1.03	OYEYZLGQJNQHMY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccccc1Nc2cc3[nH]c(cc3cn2)c4ocnc4
SMILES	CACTVS	3.385	COc1ccccc1Nc2cc3[nH]c(cc3cn2)c4ocnc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2
SMILES	OpenEye OEToolkits	1.9.2	COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2

223532

건을2024-08-07부터공개중

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