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Summary Geometry Related PDB entries

DFW

Summary

Name:	N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE
Formula:	C20 H15 N3 O3
Formal charge:	0
Formula weight:	345.351 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine
OpenEye OEToolkits	1.5.0	2-[(5,6-diphenylfuro[3,2-e]pyrimidin-4-yl)amino]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CNc1ncnc2oc(c(c12)c3ccccc3)c4ccccc4
SMILES_CANONICAL	CACTVS	3.341	OC(=O)CNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILES	CACTVS	3.341	OC(=O)CNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O
InChI	InChI	1.03	InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
InChIKey	InChI	1.03	VXTCEUDVOCLEJG-UHFFFAOYSA-N

223532

건을2024-08-07부터공개중

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