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Summary Geometry Related PDB entries

J87

Summary

Name:	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
Formula:	C20 H20 N4 O3 S
Formal charge:	0
Formula weight:	396.463 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
OpenEye OEToolkits	2.0.6	~{N}-(2-methoxy-4-morpholin-4-yl-phenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(c1cnccc1)ncc(C(Nc2c(cc(cc2)N3CCOCC3)OC)=O)s4
InChI	InChI	1.03	InChI=1S/C20H20N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,23,25)
InChIKey	InChI	1.03	SAACSZSWNHZEBE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ccc1NC(=O)c2sc(nc2)c3cccnc3)N4CCOCC4
SMILES	CACTVS	3.385	COc1cc(ccc1NC(=O)c2sc(nc2)c3cccnc3)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.6	COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4

218500

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