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Summary Geometry Related PDB entries

0LM

Summary

Name:	N-(4-chloro-3-fluorophenyl)-N'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide
Formula:	C18 H25 Cl F N3 O2
Formal charge:	0
Formula weight:	369.861 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-chloro-3-fluorophenyl)-N'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide
OpenEye OEToolkits	1.7.6	N-(4-chloranyl-3-fluoranyl-phenyl)-N'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1F)NC(=O)C(=O)NC2CC(N(C)C(C)(C)C2)(C)C
InChI	InChI	1.03	InChI=1S/C18H25ClFN3O2/c1-17(2)9-12(10-18(3,4)23(17)5)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25)
InChIKey	InChI	1.03	BDBJXDJHRQCGDD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CN1C(C)(C)CC(CC1(C)C)NC(=O)C(=O)Nc2ccc(Cl)c(F)c2
SMILES	CACTVS	3.370	CN1C(C)(C)CC(CC1(C)C)NC(=O)C(=O)Nc2ccc(Cl)c(F)c2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C
SMILES	OpenEye OEToolkits	1.7.6	CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C

218853

数据于2024-04-24公开中

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