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Summary Geometry Related PDB entries

03M

Summary

Name:	(5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
Formula:	C20 H14 Cl F2 N3 O2
Formal charge:	0
Formula weight:	401.794 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
OpenEye OEToolkits	1.7.2	(5Z)-3-[[3,4-bis(fluoranyl)phenyl]methyl]-5-[(6-chloranyl-7-methyl-1H-indol-3-yl)methylidene]imidazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc2c(c1C)ncc2/C=C3/C(=O)N(C(=O)N3)Cc4cc(F)c(F)cc4
InChI	InChI	1.03	InChI=1S/C20H14ClF2N3O2/c1-10-14(21)4-3-13-12(8-24-18(10)13)7-17-19(27)26(20(28)25-17)9-11-2-5-15(22)16(23)6-11/h2-8,24H,9H2,1H3,(H,25,28)/b17-7-
InChIKey	InChI	1.03	OEXMEVPQEPHTAQ-IDUWFGFVSA-N
SMILES_CANONICAL	CACTVS	3.370	Cc1c(Cl)ccc2c(c[nH]c12)\C=C3/NC(=O)N(Cc4ccc(F)c(F)c4)C3=O
SMILES	CACTVS	3.370	Cc1c(Cl)ccc2c(c[nH]c12)C=C3NC(=O)N(Cc4ccc(F)c(F)c4)C3=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl
SMILES	OpenEye OEToolkits	1.7.2	Cc1c(ccc2c1[nH]cc2C=C3C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl

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건을2024-10-30부터공개중

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