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Summary Geometry Related PDB entries

FW7

Summary

Name:	6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
Formula:	C18 H17 Cl2 F N4
Formal charge:	0
Formula weight:	379.259 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
OpenEye OEToolkits	2.0.6	6-chloranyl-1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-piperazin-1-yl-benzimidazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cc(Cl)c(c1)F)Cn3c(nc2ccc(Cl)cc23)N4CCNCC4
InChI	InChI	1.03	InChI=1S/C18H17Cl2FN4/c19-13-2-4-16-17(10-13)25(11-12-1-3-15(21)14(20)9-12)18(23-16)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
InChIKey	InChI	1.03	JKACBCFXETVIIK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc1Cl
SMILES	CACTVS	3.385	Fc1ccc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F

227344

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