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Summary Geometry Related PDB entries

HAK

Summary

Name:	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
Formula:	C27 H20 N8 O
Formal charge:	0
Formula weight:	472.501 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C27H20N8O/c1-35-9-5-17-2-3-18(10-25(17)35)22-11-19(12-23-26(22)32-8-7-31-23)33-24-15-28-6-4-21(24)27(36)34-20-13-29-16-30-14-20/h2-16,33H,1H3,(H,34,36)
InChIKey	InChI	1.03	VODZTUQHGMHXRJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)Nc5cncnc5)cc6nccnc36
SMILES	CACTVS	3.385	Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)Nc5cncnc5)cc6nccnc36
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6
SMILES	OpenEye OEToolkits	2.0.6	Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6

218500

건을2024-04-17부터공개중

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