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Summary Geometry Related PDB entries

6TP

Summary

Name:	4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide
Formula:	C19 H22 N4 O3 S2
Formal charge:	0
Formula weight:	418.533 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide
OpenEye OEToolkits	1.7.2	4-azanyl-2-[4-(tert-butylsulfamoyl)phenyl]-N-methyl-thieno[3,2-c]pyridine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NC(C)(C)C)c3ccc(c2sc1c(cnc(c1c2)N)C(=O)NC)cc3
InChI	InChI	1.03	InChI=1S/C19H22N4O3S2/c1-19(2,3)23-28(25,26)12-7-5-11(6-8-12)15-9-13-16(27-15)14(18(24)21-4)10-22-17(13)20/h5-10,23H,1-4H3,(H2,20,22)(H,21,24)
InChIKey	InChI	1.03	FVVCSMCEMMLEGG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)[S](=O)(=O)NC(C)(C)C
SMILES	CACTVS	3.370	CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)[S](=O)(=O)NC(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC
SMILES	OpenEye OEToolkits	1.7.2	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC

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건을2024-07-24부터공개중

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