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Summary

Name:	7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C22 H19 N7 O
Formal charge:	0
Formula weight:	397.433 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
OpenEye OEToolkits	2.0.7	7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]methyl]-3~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(ccc1)Cn4ncc(Cc2cc(N)nc3c2nnn3)c4)Oc5ccccc5
InChI	InChI	1.03	InChI=1S/C22H19N7O/c23-20-11-17(21-22(25-20)27-28-26-21)9-16-12-24-29(14-16)13-15-5-4-8-19(10-15)30-18-6-2-1-3-7-18/h1-8,10-12,14H,9,13H2,(H3,23,25,26,27,28)
InChIKey	InChI	1.03	JLZLPZCRVBHNED-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1cc(Cc2cnn(Cc3cccc(Oc4ccccc4)c3)c2)c5nn[nH]c5n1
SMILES	CACTVS	3.385	Nc1cc(Cc2cnn(Cc3cccc(Oc4ccccc4)c3)c2)c5nn[nH]c5n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N

221716

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