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Summary Geometry Related PDB entries

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Summary

Name:	3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol
Formula:	C23 H22 N4 O3
Formal charge:	0
Formula weight:	402.446 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H22N4O3/c28-19-13-17(12-18(14-19)24-15-16-4-2-1-3-5-16)22-25-20-6-9-30-21(20)23(26-22)27-7-10-29-11-8-27/h1-6,9,12-14,24,28H,7-8,10-11,15H2
InChIKey	InChI	1.03	NOLJEVWXVAGNIQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(NCc2ccccc2)cc(c1)c3nc4ccoc4c(n3)N5CCOCC5
SMILES	CACTVS	3.385	Oc1cc(NCc2ccccc2)cc(c1)c3nc4ccoc4c(n3)N5CCOCC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5

222415

數據於2024-07-10公開中

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