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Summary Geometry Related PDB entries

2GU

Summary

Name:	5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide
Formula:	C26 H22 F N5 O2
Formal charge:	0
Formula weight:	455.484 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide
OpenEye OEToolkits	1.7.6	5-(2-azanylquinazolin-6-yl)-N-(4,4-dimethyl-2-oxidanylidene-1,3-dihydroquinolin-7-yl)-2-fluoranyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc3ccc(c2cc1cnc(nc1cc2)N)cc3C(=O)Nc4ccc5c(c4)NC(=O)CC5(C)C
InChI	InChI	1.03	InChI=1S/C26H22FN5O2/c1-26(2)12-23(33)31-22-11-17(5-6-19(22)26)30-24(34)18-10-15(3-7-20(18)27)14-4-8-21-16(9-14)13-29-25(28)32-21/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,33)(H2,28,29,32)
InChIKey	InChI	1.03	CPSBEKUNRLHZKJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1(C)CC(=O)Nc2cc(NC(=O)c3cc(ccc3F)c4ccc5nc(N)ncc5c4)ccc12
SMILES	CACTVS	3.385	CC1(C)CC(=O)Nc2cc(NC(=O)c3cc(ccc3F)c4ccc5nc(N)ncc5c4)ccc12
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C
SMILES	OpenEye OEToolkits	1.7.6	CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C

222415

건을2024-07-10부터공개중

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