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Summary Geometry Related PDB entries

6G2

Summary

Name:	5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine
Formula:	C19 H21 N5 O S
Formal charge:	0
Formula weight:	367.468 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine
OpenEye OEToolkits	2.0.4	5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4)N
InChI	InChI	1.03	InChI=1S/C19H21N5OS/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-23-18)17-11-24-19(26-17)14-3-7-22-8-4-14/h1-2,5-6,9-11,14,22H,3-4,7-8,12H2,(H2,20,23)
InChIKey	InChI	1.03	HSEGDFMLRPWOHH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4
SMILES	CACTVS	3.385	Nc1ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4
SMILES	OpenEye OEToolkits	2.0.4	c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4

227344

数据于2024-11-13公开中

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