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Summary

Name:	4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol
Formula:	C20 H18 N4 O3
Formal charge:	0
Formula weight:	362.382 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol
OpenEye OEToolkits	1.9.2	4-[4-[6-(2-methoxyethoxy)quinolin-2-yl]-1,2,3-triazol-1-yl]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2nn(c1ccc(O)cc1)cc2c3nc4c(cc3)cc(OCCOC)cc4
InChI	InChI	1.03	InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
InChIKey	InChI	1.03	RDMXBXKUWXFIGH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCOc1ccc2nc(ccc2c1)c3cn(nn3)c4ccc(O)cc4
SMILES	CACTVS	3.385	COCCOc1ccc2nc(ccc2c1)c3cn(nn3)c4ccc(O)cc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O
SMILES	OpenEye OEToolkits	1.9.2	COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O

222415

數據於2024-07-10公開中

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