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Summary Geometry Related PDB entries

T70

Summary

Name:	PF-05089771
Synonyms:	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
Formula:	C18 H12 Cl2 F N5 O3 S2
Formal charge:	0
Formula weight:	500.354 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
InChIKey	InChI	1.06	ZYSCOUXLBXGGIM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4
SMILES	CACTVS	3.385	Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)c2cn[nH]c2N)Oc3cc(c(cc3Cl)S(=O)(=O)Nc4cscn4)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)c2cn[nH]c2N)Oc3cc(c(cc3Cl)S(=O)(=O)Nc4cscn4)F

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