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Summary Geometry Related PDB entries

H4L

Summary

Name:	3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol
Formula:	C20 H21 N3 O3
Formal charge:	0
Formula weight:	351.399 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)9-8-17-6-4-16(5-7-17)3-2-12-24/h4-7,10-11,13,15,24-25H,2-3,12,14H2,1H3/t15-/m0/s1
InChIKey	InChI	1.03	ADTNNAQOIVHYIK-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](O)c1nccn1Cc2cc(on2)C#Cc3ccc(CCCO)cc3
SMILES	CACTVS	3.385	C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(CCCO)cc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O
SMILES	OpenEye OEToolkits	2.0.7	CC(c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O

222415

PDB entries from 2024-07-10

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