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Summary Geometry Related PDB entries

QXZ

Summary

Name:	7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
Formula:	C23 H22 N6 O3
Formal charge:	0
Formula weight:	430.459 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H22N6O3/c1-13-18-12-24-23(26-15-10-19(30-2)21(32-4)20(11-15)31-3)28-29(18)22(25-13)17-9-14-7-5-6-8-16(14)27-17/h5-12,27H,1-4H3,(H,26,28)
InChIKey	InChI	1.03	LXDPQXXUVGVIND-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(Nc2ncc3n(n2)c(nc3C)c4[nH]c5ccccc5c4)cc(OC)c1OC
SMILES	CACTVS	3.385	COc1cc(Nc2ncc3n(n2)c(nc3C)c4[nH]c5ccccc5c4)cc(OC)c1OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c2cnc(nn2c(n1)c3cc4ccccc4[nH]3)Nc5cc(c(c(c5)OC)OC)OC
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2cnc(nn2c(n1)c3cc4ccccc4[nH]3)Nc5cc(c(c(c5)OC)OC)OC

223532

PDB entries from 2024-08-07

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