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Summary Geometry Related PDB entries

87T

Summary

Name:	N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide
Formula:	C20 H19 N5 O2
Formal charge:	0
Formula weight:	361.397 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide
OpenEye OEToolkits	1.7.6	2-azanyl-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc4ccc(Oc2ccc3ncc(c1cn(nc1)C)c3c2)cc4)CN
InChI	InChI	1.03	InChI=1S/C20H19N5O2/c1-25-12-13(10-23-25)18-11-22-19-7-6-16(8-17(18)19)27-15-4-2-14(3-5-15)24-20(26)9-21/h2-8,10-12,22H,9,21H2,1H3,(H,24,26)
InChIKey	InChI	1.03	HGVGFSWIDYRBBA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(cn1)c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23
SMILES	CACTVS	3.385	Cn1cc(cn1)c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN
SMILES	OpenEye OEToolkits	1.7.6	Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN

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