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Summary Geometry Related PDB entries

H3E

Summary

Name:	5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine
Formula:	C21 H17 N5 O
Formal charge:	0
Formula weight:	355.393 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3
InChIKey	InChI	1.03	IAJZCWZPVNGTMZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5ccccc5)c4)c3n2
SMILES	CACTVS	3.385	Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5ccccc5)c4)c3n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5
SMILES	OpenEye OEToolkits	2.0.6	Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5

222415

건을2024-07-10부터공개중

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