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Summary Geometry Related PDB entries

NG5

Summary

Name:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Formula:	C28 H24 F N7 O2
Formal charge:	0
Formula weight:	509.534 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-
InChIKey	InChI	1.03	VQDCXZLOFBIDTL-IYARVYRRSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1ccc(nc1)c2nnc([C@H]3C[C@@H](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6F
SMILES	CACTVS	3.385	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6
SMILES	OpenEye OEToolkits	2.0.7	CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6

223790

건을2024-08-14부터공개중

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