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

LM3

Summary

Name:	N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
Formula:	C21 H18 N4
Formal charge:	0
Formula weight:	326.394 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
OpenEye OEToolkits	1.7.6	N,N-dimethyl-6-naphthalen-1-yl-5-pyridin-4-yl-pyridazin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4ccc(c3cc(nnc3c1cccc2c1cccc2)N(C)C)cc4
InChI	InChI	1.03	InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3
InChIKey	InChI	1.03	GEAPHVHHVPDTKQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
SMILES	CACTVS	3.370	CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4
SMILES	OpenEye OEToolkits	1.7.6	CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4

223790

數據於2024-08-14公開中

PDB statistics

PDBj update info

Contact PDBj

numon