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Summary Geometry Related PDB entries

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Summary

Name:	4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one
Formula:	C21 H17 F2 N5 O2
Formal charge:	0
Formula weight:	409.389 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(4~{R})-4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H17F2N5O2/c22-13-3-5-14(6-4-13)28-9-1-2-12(10-18(28)29)21-25-20(27-30-21)15-7-8-17(23)16-11-24-26-19(15)16/h3-8,11-12H,1-2,9-10H2,(H,24,26)/t12-/m1/s1
InChIKey	InChI	1.06	BKJFYBNBUSLPGV-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(cc1)N2CCC[C@H](CC2=O)c3onc(n3)c4ccc(F)c5c[nH]nc45
SMILES	CACTVS	3.385	Fc1ccc(cc1)N2CCC[CH](CC2=O)c3onc(n3)c4ccc(F)c5c[nH]nc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2CCC[C@H](CC2=O)c3nc(no3)c4ccc(c5c4n[nH]c5)F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2CCCC(CC2=O)c3nc(no3)c4ccc(c5c4n[nH]c5)F)F

248335

PDB entries from 2026-01-28

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