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Summary Geometry Related PDB entries

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Summary

Name:	7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Formula:	C17 H16 N6
Formal charge:	0
Formula weight:	304.349 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
OpenEye OEToolkits	1.7.6	7-(1-propylpyrazol-4-yl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccc(cc1)c3nc4c(c2cn(nc2)CCC)cnc4nc3
InChI	InChI	1.03	InChI=1S/C17H16N6/c1-2-7-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-3-5-18-6-4-12/h3-6,8-11H,2,7H2,1H3,(H,19,20)
InChIKey	InChI	1.03	UEKKWQGHDYXDHX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCn1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4
SMILES	CACTVS	3.385	CCCn1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4
SMILES	OpenEye OEToolkits	1.7.6	CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4

223532

건을2024-08-07부터공개중

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