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Summary Geometry Related PDB entries

8MH

Summary

Name:	3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide
Formula:	C25 H35 N5 O5
Formal charge:	0
Formula weight:	485.576 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-~{N}-[2-(2-hexoxyethoxy)ethyl]propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C25H35N5O5/c1-2-3-4-5-14-34-16-17-35-15-12-27-22(31)11-13-30-24(32)19-8-6-7-18-21(28-29-26)10-9-20(23(18)19)25(30)33/h6-10,28-29H,2-5,11-17,26H2,1H3,(H,27,31)
InChIKey	InChI	1.03	SKQKTNKUYTUXKA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c(NNN)ccc(C1=O)c23
SMILES	CACTVS	3.385	CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c(NNN)ccc(C1=O)c23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O

222415

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