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Summary Geometry Related PDB entries

A1AZL

Summary

Name:	4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
Formula:	C21 H24 N6 O
Formal charge:	0
Formula weight:	376.455 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
OpenEye OEToolkits	2.0.7	4-[1-(2-azanylethyl)-4,5-dihydroimidazol-2-yl]-~{N}-[4-(4,5-dihydro-1~{H}-imidazol-2-yl)phenyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCCN1CCN=C1c1ccc(cc1)C(=O)Nc1ccc(cc1)C1=NCCN1
InChI	InChI	1.06	InChI=1S/C21H24N6O/c22-9-13-27-14-12-25-20(27)16-1-3-17(4-2-16)21(28)26-18-7-5-15(6-8-18)19-23-10-11-24-19/h1-8H,9-14,22H2,(H,23,24)(H,26,28)
InChIKey	InChI	1.06	MIXOGBPRHWAMGZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NCCN1CCN=C1c2ccc(cc2)C(=O)Nc3ccc(cc3)C4=NCCN4
SMILES	CACTVS	3.385	NCCN1CCN=C1c2ccc(cc2)C(=O)Nc3ccc(cc3)C4=NCCN4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2=NCCN2CCN)C(=O)Nc3ccc(cc3)C4=NCCN4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2=NCCN2CCN)C(=O)Nc3ccc(cc3)C4=NCCN4

223532

數據於2024-08-07公開中

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