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Summary Geometry Related PDB entries

N4K

Summary

Name:	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
Formula:	C27 H32 N4 O2 S
Formal charge:	0
Formula weight:	476.634 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3
InChIKey	InChI	1.03	NQNCYOLLDZOUKP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6
SMILES	CACTVS	3.385	Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6
SMILES	OpenEye OEToolkits	2.0.7	Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6

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