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Summary Geometry Related PDB entries

B2M

Summary

Name:	6-bromo-N'-[(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
Formula:	C18 H12 Br Cl2 N3 O2
Formal charge:	0
Formula weight:	453.117 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	6-bromo-N'-[(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
OpenEye OEToolkits	1.5.0	6-bromo-N-[(3,5-dichloro-2-hydroxy-phenyl)methylideneamino]-2-methyl-quinoline-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(c(O)c(Cl)c1)\C=N/NC(=O)c2c3cc(Br)ccc3nc(c2)C
SMILES_CANONICAL	CACTVS	3.341	Cc1cc(C(=O)N\N=C/c2cc(Cl)cc(Cl)c2O)c3cc(Br)ccc3n1
SMILES	CACTVS	3.341	Cc1cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c3cc(Br)ccc3n1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(c2cc(ccc2n1)Br)C(=O)NN=Cc3cc(cc(c3O)Cl)Cl
InChI	InChI	1.03	InChI=1S/C18H12BrCl2N3O2/c1-9-4-14(13-6-11(19)2-3-16(13)23-9)18(26)24-22-8-10-5-12(20)7-15(21)17(10)25/h2-8,25H,1H3,(H,24,26)/b22-8-
InChIKey	InChI	1.03	JOLMQMRBSITJES-UYOCIXKTSA-N

219140

PDB entries from 2024-05-01

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