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Summary Geometry Related PDB entries

Y9H

Summary

Name:	(5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
Formula:	C17 H19 F N4
Formal charge:	0
Formula weight:	298.358 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
OpenEye OEToolkits	2.0.7	2-[4-(2-fluoranylethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FCCC1CCN(CC1)c1nc2nc3ccccc3n2cc1
InChI	InChI	1.06	InChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2
InChIKey	InChI	1.06	DWSFKWXDRBTTCG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	FCCC1CCN(CC1)c2ccn3c(n2)nc4ccccc34
SMILES	CACTVS	3.385	FCCC1CCN(CC1)c2ccn3c(n2)nc4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)nc3n2ccc(n3)N4CCC(CC4)CCF
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)nc3n2ccc(n3)N4CCC(CC4)CCF

225158

PDB entries from 2024-09-18

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