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

RCK

Summary

Name:	~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C25 H27 F N6 O S
Formal charge:	0
Formula weight:	478.585 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C25H27FN6OS/c26-22-9-5-4-8-20(22)16-27-23-21-17-28-32(11-10-19-6-2-1-3-7-19)24(21)30-25(29-23)34-18-31-12-14-33-15-13-31/h1-9,17H,10-16,18H2,(H,27,29,30)
InChIKey	InChI	1.03	VXDFUYOZJBQCMJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24
SMILES	CACTVS	3.385	Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F

223532

건을2024-08-07부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon