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

RIW

Summary

Name:	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one
Formula:	C14 H12 F N5 O
Formal charge:	0
Formula weight:	285.276 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one
OpenEye OEToolkits	2.0.7	1-[(7-fluoranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc2c3c(ncnc3[NH]c2c1)NN1CCCC1=O
InChI	InChI	1.06	InChI=1S/C14H12FN5O/c15-8-3-4-9-10(6-8)18-13-12(9)14(17-7-16-13)19-20-5-1-2-11(20)21/h3-4,6-7H,1-2,5H2,(H2,16,17,18,19)
InChIKey	InChI	1.06	NFUGNDSRCURWKQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc2c([nH]c3ncnc(NN4CCCC4=O)c23)c1
SMILES	CACTVS	3.385	Fc1ccc2c([nH]c3ncnc(NN4CCCC4=O)c23)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCC4=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCC4=O

223532

数据于2024-08-07公开中

PDB statistics

PDBj update info

Contact PDBj

numon