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Summary Geometry Related PDB entries

R34

Summary

Name:	5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide
Formula:	C24 H19 Cl N4 O3
Formal charge:	0
Formula weight:	446.886 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide
OpenEye OEToolkits	2.0.6	5-[[6-chloranyl-5-(1-methylindol-5-yl)-1~{H}-benzimidazol-2-yl]oxy]-2-methyl-~{N}-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c15c(ccc(c1)c2c(Cl)cc3c(c2)nc(n3)Oc4cc(c(cc4)C)C(=O)NO)n(C)cc5
InChI	InChI	1.03	InChI=1S/C24H19ClN4O3/c1-13-3-5-16(10-17(13)23(30)28-31)32-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-29(22)2/h3-12,31H,1-2H3,(H,26,27)(H,28,30)
InChIKey	InChI	1.03	SCEVBRBKKQZTKM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ccc2cc(ccc12)c3cc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(=O)NO
SMILES	CACTVS	3.385	Cn1ccc2cc(ccc12)c3cc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(=O)NO
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl

223532

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