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

65X

Summary

Name:	6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline
Formula:	C21 H19 Cl N6
Formal charge:	0
Formula weight:	390.869 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline
OpenEye OEToolkits	2.0.4	6-chloranyl-4-phenyl-2-piperidin-1-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)quinoline

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(c(c1nnnn1)c(nc3ccc(cc23)Cl)N4CCCCC4)c5ccccc5
InChI	InChI	1.03	InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)
InChIKey	InChI	1.03	FXEKONNOBJEKPB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc2nc(N3CCCCC3)c(c4[nH]nnn4)c(c5ccccc5)c2c1
SMILES	CACTVS	3.385	Clc1ccc2nc(N3CCCCC3)c(c4[nH]nnn4)c(c5ccccc5)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon