English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1L4F

Summary

Name:	5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
Formula:	C22 H23 F7 N2 O3
Formal charge:	0
Formula weight:	496.418 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H23F7N2O3/c23-17-16(22(27,28)29)18(24)20(26)21(19(17)25)34-15-5-4-13(12-14(15)32)30-6-2-1-3-7-31-8-10-33-11-9-31/h4-5,12,30,32H,1-3,6-11H2
InChIKey	InChI	1.06	XFQSUQKGMQJFSR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(NCCCCCN2CCOCC2)ccc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F
SMILES	CACTVS	3.385	Oc1cc(NCCCCCN2CCOCC2)ccc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1NCCCCCN2CCOCC2)O)Oc3c(c(c(c(c3F)F)C(F)(F)F)F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1NCCCCCN2CCOCC2)O)Oc3c(c(c(c(c3F)F)C(F)(F)F)F)F

247947

PDB entries from 2026-01-21

PDB statistics

PDBj update info

Contact PDBj

numon