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Summary Geometry Related PDB entries

ZYP

Summary

Name:	5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
Formula:	C20 H19 F N4 O4 S
Formal charge:	0
Formula weight:	430.453 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
OpenEye OEToolkits	1.7.0	5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S4(=O)N(c2nc(C(=O)NCc1ccc(F)cc1)c(O)c3ncccc23)CCCC4
SMILES_CANONICAL	CACTVS	3.370	Oc1c(nc(N2CCCC[S]2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F)cc4
SMILES	CACTVS	3.370	Oc1c(nc(N2CCCC[S]2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F)cc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1
InChI	InChI	1.03	InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
InChIKey	InChI	1.03	DIDKWCOCQJWMDJ-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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