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Summary Geometry Related PDB entries

L0P

Summary

Name:	N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Formula:	C24 H20 N4 O2 S
Formal charge:	0
Formula weight:	428.506 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
OpenEye OEToolkits	2.0.7	~{N}-(8-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cccn2c1nc(c2NC(=O)CN4C(CSc3c4cccc3)=O)c5ccccc5
InChI	InChI	1.03	InChI=1S/C24H20N4O2S/c1-16-8-7-13-27-23(16)26-22(17-9-3-2-4-10-17)24(27)25-20(29)14-28-18-11-5-6-12-19(18)31-15-21(28)30/h2-13H,14-15H2,1H3,(H,25,29)
InChIKey	InChI	1.03	MSTWIUSEUCGNEI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccn2c(NC(=O)CN3C(=O)CSc4ccccc34)c(nc12)c5ccccc5
SMILES	CACTVS	3.385	Cc1cccn2c(NC(=O)CN3C(=O)CSc4ccccc34)c(nc12)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5

222624

數據於2024-07-17公開中

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