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Summary Geometry Related PDB entries

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Summary

Name:	3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL
Synonyms:	PI-103
Formula:	C19 H16 N4 O3
Formal charge:	0
Formula weight:	348.355 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5
SMILES_CANONICAL	CACTVS	3.352	Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
SMILES	CACTVS	3.352	Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5
SMILES	OpenEye OEToolkits	1.6.1	c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5
InChI	InChI	1.03	InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
InChIKey	InChI	1.03	TUVCWJQQGGETHL-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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