2CK

1,2,3,4-tetrahydroisoquinoline

Created:	2013-09-20
Last modified:	2014-04-16

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1 entries where 2CK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of 2CK

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Chemical Component Summary
Name	1,2,3,4-tetrahydroisoquinoline
Systematic Name (OpenEye OEToolkits)	1,2,3,4-tetrahydroisoquinoline
Formula	C₉ H₁₁ N
Molecular Weight	133.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc2c(c1)CNCC2
SMILES	CACTVS	3.385	C1Cc2ccccc2CN1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)CCNC2
Canonical SMILES	CACTVS	3.385	C1Cc2ccccc2CN1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)CCNC2
InChI	InChI	1.03	InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
InChIKey	InChI	1.03	UWYZHKAOTLEWKK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7046
ChEMBL	CHEMBL14346
ChEBI	CHEBI:125498
CCDC/CSD	GESVOR, FUFPOM, AYAHAM, AYAHEQ

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.