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Summary Geometry Related PDB entries

MM0

Summary

Name:	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
Formula:	C28 H30 N4
Formal charge:	0
Formula weight:	422.565 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n3c2c1cc5cc(ccc5nc1ccc2cc4c3ccc(c4)CNCCC)CNCCC
SMILES_CANONICAL	CACTVS	3.341	CCCNCc1ccc2nc3c(ccc4nc5ccc(CNCCC)cc5cc34)cc2c1
SMILES	CACTVS	3.341	CCCNCc1ccc2nc3c(ccc4nc5ccc(CNCCC)cc5cc34)cc2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC
InChI	InChI	1.03	InChI=1S/C28H30N4/c1-3-11-29-17-19-6-9-26-22(13-19)15-21-7-10-27-24(28(21)32-26)16-23-14-20(18-30-12-4-2)5-8-25(23)31-27/h5-10,13-16,29-30H,3-4,11-12,17-18H2,1-2H3
InChIKey	InChI	1.03	BAQHAHCFORIMOQ-UHFFFAOYSA-N

223532

건을2024-08-07부터공개중

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