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Summary Geometry Related PDB entries

6GX

Summary

Name:	N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide
Formula:	C25 H29 N3 O3
Formal charge:	0
Formula weight:	419.516 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide
OpenEye OEToolkits	2.0.4	~{N}-[2-[[2-methoxy-6-[(2-methyl-3-phenyl-phenyl)methoxy]pyridin-3-yl]methylamino]ethyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(C)c1c(CNCCNC(=O)C)ccc(n1)OCc2c(c(ccc2)c3ccccc3)C
InChI	InChI	1.03	InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
InChIKey	InChI	1.03	JEDPSOYOYVELLZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1nc(OCc2cccc(c2C)c3ccccc3)ccc1CNCCNC(C)=O
SMILES	CACTVS	3.385	COc1nc(OCc2cccc(c2C)c3ccccc3)ccc1CNCCNC(C)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C
SMILES	OpenEye OEToolkits	2.0.4	Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C

222926

數據於2024-07-24公開中

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