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Summary Geometry Related PDB entries

A1L8R

Summary

Name:	N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine
Formula:	C36 H38 N6
Formal charge:	0
Formula weight:	554.727 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C36H38N6/c1-5-15-31-27(11-1)35(28-12-2-6-16-32(28)39-31)37-19-9-21-41-23-25-42(26-24-41)22-10-20-38-36-29-13-3-7-17-33(29)40-34-18-8-4-14-30(34)36/h1-8,11-18H,9-10,19-26H2,(H,37,39)(H,38,40)
InChIKey	InChI	1.06	AAMSBOZZFRTUFD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C(CNc1c2ccccc2nc3ccccc13)CN4CCN(CCCNc5c6ccccc6nc7ccccc57)CC4
SMILES	CACTVS	3.385	C(CNc1c2ccccc2nc3ccccc13)CN4CCN(CCCNc5c6ccccc6nc7ccccc57)CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c3ccccc3n2)NCCCN4CCN(CC4)CCCNc5c6ccccc6nc7c5cccc7
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c3ccccc3n2)NCCCN4CCN(CC4)CCCNc5c6ccccc6nc7c5cccc7

250835

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