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Summary Geometry Related PDB entries

0TP

Summary

Name:	4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
Formula:	C19 H20 N4 O2 S
Formal charge:	0
Formula weight:	368.453 Da
Component type:	NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2c1sc(cc1c(nc2)N)c4ccc(N3CCOCC3)cc4)NC
InChI	InChI	1.03	InChI=1S/C19H20N4O2S/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24)
InChIKey	InChI	1.03	JNNQSTULXLHQBB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)N4CCOCC4
SMILES	CACTVS	3.370	CNC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N
SMILES	OpenEye OEToolkits	1.7.2	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N

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