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

3EX

Summary

Name:	3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
Formula:	C19 H18 F N3 O4
Formal charge:	0
Formula weight:	371.362 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
OpenEye OEToolkits	1.9.2	3-[(4-cyclopropyl-2-fluoranyl-phenyl)amino]-N-(2-hydroxyethyloxy)furo[3,2-c]pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(ccc1Nc2c3c(oc2C(=O)NOCCO)ccnc3)C4CC4
InChI	InChI	1.03	InChI=1S/C19H18FN3O4/c20-14-9-12(11-1-2-11)3-4-15(14)22-17-13-10-21-6-5-16(13)27-18(17)19(25)23-26-8-7-24/h3-6,9-11,22,24H,1-2,7-8H2,(H,23,25)
InChIKey	InChI	1.03	QSUMKWLIKRKVBF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OCCONC(=O)c1oc2ccncc2c1Nc3ccc(cc3F)C4CC4
SMILES	CACTVS	3.385	OCCONC(=O)c1oc2ccncc2c1Nc3ccc(cc3F)C4CC4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO

221371

PDB entries from 2024-06-19

PDB statistics

PDBj update info

Contact PDBj

numon