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Summary Geometry Related PDB entries

VGF

Summary

Name:	1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE
Formula:	C20 H15 Cl2 N3
Formal charge:	0
Formula weight:	368.259 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine
OpenEye OEToolkits	1.6.1	1-[(3,4-dichlorophenyl)methyl]-7-phenyl-benzimidazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4
SMILES_CANONICAL	CACTVS	3.352	Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4
SMILES	CACTVS	3.352	Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl
InChI	InChI	1.03	InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
InChIKey	InChI	1.03	JFVMZMBFRZPOFF-UHFFFAOYSA-N

224931

건을2024-09-11부터공개중

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