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Summary Geometry Related PDB entries

JRE

Summary

Name:	6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide
Formula:	C16 H17 Cl N4 O2
Formal charge:	0
Formula weight:	332.785 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C16H17ClN4O2/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11/h5-9,22H,2-4H2,1H3,(H2,18,23)/t9-/m0/s1
InChIKey	InChI	1.03	QDAISIXQQMBVSS-VIFPVBQESA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](O)c1c(Cl)cncc1c2cnc3N(CCCc3c2)C(N)=O
SMILES	CACTVS	3.385	C[CH](O)c1c(Cl)cncc1c2cnc3N(CCCc3c2)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O
SMILES	OpenEye OEToolkits	2.0.7	CC(c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O

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건을2024-07-17부터공개중

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