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

TWV

Summary

Name:	4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
Formula:	C20 H23 N3 O2
Formal charge:	0
Formula weight:	337.416 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
OpenEye OEToolkits	2.0.7	4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-~{N}-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3CCN(C)C
InChI	InChI	1.03	InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24)
InChIKey	InChI	1.03	OQQDAERWKGMJMN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILES	CACTVS	3.385	CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO

222624

PDB entries from 2024-07-17

PDB statistics

PDBj update info

Contact PDBj

numon