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Summary Geometry Related PDB entries

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Summary

Name:	(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone
Formula:	C22 H19 F3 N4 O3
Formal charge:	0
Formula weight:	444.406 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone
OpenEye OEToolkits	2.0.7	(4-azanyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3~{S})-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCOCC1c1ccc(cc1)C(F)(F)F)c1cc2c3COCc3c(N)nc2cn1
InChI	InChI	1.06	InChI=1S/C22H19F3N4O3/c23-22(24,25)13-3-1-12(2-4-13)19-11-31-6-5-29(19)21(30)17-7-14-15-9-32-10-16(15)20(26)28-18(14)8-27-17/h1-4,7-8,19H,5-6,9-11H2,(H2,26,28)/t19-/m1/s1
InChIKey	InChI	1.06	BFEBTMFPRJPBTK-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1nc2cnc(cc2c3COCc13)C(=O)N4CCOC[C@@H]4c5ccc(cc5)C(F)(F)F
SMILES	CACTVS	3.385	Nc1nc2cnc(cc2c3COCc13)C(=O)N4CCOC[CH]4c5ccc(cc5)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1[C@H]2COCCN2C(=O)c3cc4c(cn3)nc(c5c4COC5)N)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2COCCN2C(=O)c3cc4c(cn3)nc(c5c4COC5)N)C(F)(F)F

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