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

IG6

Summary

Name:	(4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
Formula:	C20 H18 F3 N5
Formal charge:	0
Formula weight:	385.386 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
OpenEye OEToolkits	2.0.7	3-methyl-6-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1nc2ccc(nn2c1C)CCc1nc(cn1C)c1ccccc1
InChI	InChI	1.03	InChI=1S/C20H18F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3
InChIKey	InChI	1.03	KCTAYNOHWHMWOI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(nc1CCc2ccc3nc(c(C)n3n2)C(F)(F)F)c4ccccc4
SMILES	CACTVS	3.385	Cn1cc(nc1CCc2ccc3nc(c(C)n3n2)C(F)(F)F)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(nc2n1nc(cc2)CCc3nc(cn3C)c4ccccc4)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc2n1nc(cc2)CCc3nc(cn3C)c4ccccc4)C(F)(F)F

221051

PDB entries from 2024-06-12

PDB statistics

PDBj update info

Contact PDBj

numon