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Summary Geometry Related PDB entries

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Summary

Name:	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE
Formula:	C24 H21 N2 P
Formal charge:	0
Formula weight:	368.411 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2,2'-(2-phenyl-4,5,6,7-tetrahydro-2H-isophosphindole-1,3-diyl)dipyridine
OpenEye OEToolkits	1.5.0	2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1ccccc1c3c5c(c(c2ncccc2)p3c4ccccc4)CCCC5
SMILES_CANONICAL	CACTVS	3.341	C1CCc2c(C1)c([p](c3ccccc3)c2c4ccccn4)c5ccccn5
SMILES	CACTVS	3.341	C1CCc2c(C1)c([p](c3ccccc3)c2c4ccccn4)c5ccccn5
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5
InChI	InChI	1.03	InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2
InChIKey	InChI	1.03	GSKNNHAAFLPYHG-UHFFFAOYSA-N

218853

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