BK6

3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Created:	2011-07-27
Last modified:	2021-03-01

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1 entries where BK6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	21

2D diagram of BK6

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Chemical Component Summary
Name	3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms	RM-1-130
Systematic Name (OpenEye OEToolkits)	3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Formula	C₂₂ H₂₄ N₆ O
Molecular Weight	388.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)CC5CCNCC5)N
SMILES	CACTVS	3.370	COc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35
SMILES	OpenEye OEToolkits	1.7.2	COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N
Canonical SMILES	CACTVS	3.370	COc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35
Canonical SMILES	OpenEye OEToolkits	1.7.2	COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N
InChI	InChI	1.03	InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)
InChIKey	InChI	1.03	MBHHJCMRPHUOAD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53346431
ChEMBL	CHEMBL2030553

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