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

A1LZ1

Summary

Name:	6-(4-butoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C27 H34 F N5 O4
Formal charge:	0
Formula weight:	511.588 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-(4-butoxycarbonylpiperazin-1-yl)-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C27H34FN5O4/c1-4-7-16-37-27(36)32-14-12-31(13-15-32)22-17-21(26(34)35)23-24(18(5-2)6-3)30-33(25(23)29-22)20-10-8-19(28)9-11-20/h8-11,17-18H,4-7,12-16H2,1-3H3,(H,34,35)
InChIKey	InChI	1.06	AIUAISKOQFVGPY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCOC(=O)N1CCN(CC1)c2cc(C(O)=O)c3c(nn(c4ccc(F)cc4)c3n2)C(CC)CC
SMILES	CACTVS	3.385	CCCCOC(=O)N1CCN(CC1)c2cc(C(O)=O)c3c(nn(c4ccc(F)cc4)c3n2)C(CC)CC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCCOC(=O)N1CCN(CC1)c2cc(c3c(nn(c3n2)c4ccc(cc4)F)C(CC)CC)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	CCCCOC(=O)N1CCN(CC1)c2cc(c3c(nn(c3n2)c4ccc(cc4)F)C(CC)CC)C(=O)O

248942

PDB entries from 2026-02-11

PDB statistics

PDBj update info

Contact PDBj

numon