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Summary Geometry Related PDB entries

MZN

Summary

Name:	7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one
Formula:	C21 H20 F N3 O3
Formal charge:	0
Formula weight:	381.4 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1
InChIKey	InChI	1.03	RWOYGQRZJZBHOJ-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F
SMILES	CACTVS	3.385	CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCC(C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O

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數據於2024-07-17公開中

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