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Summary Geometry Related PDB entries

PFZ

Summary

Name:	1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE
Formula:	C17 H22 Cl2 N2 O
Formal charge:	0
Formula weight:	341.275 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(2R)-2-(2,4-dichlorophenyl)-1-(1H-imidazol-1-yl)octan-2-ol
OpenEye OEToolkits	1.5.0	(2R)-2-(2,4-dichlorophenyl)-1-imidazol-1-yl-octan-2-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(c(Cl)c1)C(O)(CCCCCC)Cn2ccnc2
SMILES_CANONICAL	CACTVS	3.341	CCCCCC[C@](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl
SMILES	CACTVS	3.341	CCCCCC[C](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CCCCCC[C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCC(Cn1ccnc1)(c2ccc(cc2Cl)Cl)O
InChI	InChI	1.03	InChI=1S/C17H22Cl2N2O/c1-2-3-4-5-8-17(22,12-21-10-9-20-13-21)15-7-6-14(18)11-16(15)19/h6-7,9-11,13,22H,2-5,8,12H2,1H3/t17-/m0/s1
InChIKey	InChI	1.03	WJBNLGBHMWNHRZ-KRWDZBQOSA-N

227344

PDB entries from 2024-11-13

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