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

A1LZE

Summary

Name:	5-methyl-2-{[(2R)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl}-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one
Formula:	C19 H25 N5 O4 S
Formal charge:	0
Formula weight:	419.498 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-methyl-2-[[(2~{R})-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl]-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H25N5O4S/c1-13-10-24(29(4,26)27)8-7-23(13)11-14-9-15-18(28-14)16(12-21(2)19(15)25)17-5-6-22(3)20-17/h5-6,9,12-13H,7-8,10-11H2,1-4H3/t13-/m1/s1
InChIKey	InChI	1.06	XQODQNSFZKRZIC-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H]1CN(CCN1Cc2oc3C(=CN(C)C(=O)c3c2)c4ccn(C)n4)[S](C)(=O)=O
SMILES	CACTVS	3.385	C[CH]1CN(CCN1Cc2oc3C(=CN(C)C(=O)c3c2)c4ccn(C)n4)[S](C)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H]1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4ccn(n4)C)S(=O)(=O)C
SMILES	OpenEye OEToolkits	2.0.7	CC1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4ccn(n4)C)S(=O)(=O)C

251174

PDB entries from 2026-03-25

PDB statistics

PDBj update info

Contact PDBj

numon