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

UIK

Summary

Name:	[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
Formula:	C22 H22 N4 O
Formal charge:	0
Formula weight:	358.436 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H22N4O/c1-15-4-3-5-17(10-15)12-26(2)22-19-11-20(25-21(19)23-14-24-22)18-8-6-16(13-27)7-9-18/h3-11,14,27H,12-13H2,1-2H3,(H,23,24,25)
InChIKey	InChI	1.06	KXUSCHVJJBSONI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc23)c4ccc(CO)cc4
SMILES	CACTVS	3.385	CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc23)c4ccc(CO)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(cc4)CO
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(cc4)CO

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon