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Summary Geometry Related PDB entries

3XL

Summary

Name:	3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Formula:	C17 H10 N4 O
Formal charge:	0
Formula weight:	286.288 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc4ncc2c(c1cc(cnc1n2)c3ccccc3O)c4
InChI	InChI	1.03	InChI=1S/C17H10N4O/c18-7-11-6-13-14-5-10(12-3-1-2-4-16(12)22)8-20-17(14)21-15(13)9-19-11/h1-6,8-9,22H,(H,20,21)
InChIKey	InChI	1.03	NMTUQTHXOJLRMZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccccc1c2cnc3[nH]c4cnc(cc4c3c2)C#N
SMILES	CACTVS	3.385	Oc1ccccc1c2cnc3[nH]c4cnc(cc4c3c2)C#N
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O

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