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Summary Geometry Related PDB entries

IAY

Summary

Name:	4-(6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyridin-2-yl)morpholine
Formula:	C21 H26 N4 O
Formal charge:	0
Formula weight:	350.457 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyridin-2-yl)morpholine
OpenEye OEToolkits	2.0.7	4-[6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]pyridin-2-yl]morpholine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN1CC(N=C1CCc1nc(ccc1)N1CCOCC1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C21H26N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,19H,10-16H2,1H3/t19-/m1/s1
InChIKey	InChI	1.03	FXPAXXJJKNGQFU-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C[C@@H](N=C1CCc2cccc(n2)N3CCOCC3)c4ccccc4
SMILES	CACTVS	3.385	CN1C[CH](N=C1CCc2cccc(n2)N3CCOCC3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CC(N=C1CCc2cccc(n2)N3CCOCC3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CN1CC(N=C1CCc2cccc(n2)N3CCOCC3)c4ccccc4

223532

건을2024-08-07부터공개중

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