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Summary

Name:	5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one
Formula:	C21 H17 N5 O
Formal charge:	0
Formula weight:	355.393 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one
OpenEye OEToolkits	1.7.6	5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydro-[1,2,3]triazolo[4,5-c]pyridin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4c1c(nnn1Cc3cc2cccnc2cc3)CCN4c5ccccc5
InChI	InChI	1.03	InChI=1S/C21H17N5O/c27-21-20-19(10-12-25(21)17-6-2-1-3-7-17)23-24-26(20)14-15-8-9-18-16(13-15)5-4-11-22-18/h1-9,11,13H,10,12,14H2
InChIKey	InChI	1.03	ZSFSLLGRLMODAE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	O=C1N(CCc2nnn(Cc3ccc4ncccc4c3)c12)c5ccccc5
SMILES	CACTVS	3.370	O=C1N(CCc2nnn(Cc3ccc4ncccc4c3)c12)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O

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