BK4

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

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

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1 entries where BK4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	21

2D diagram of BK4

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Chemical Component Summary
Name	3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms	RM-1-87
Systematic Name (OpenEye OEToolkits)	3-(6-methoxynaphthalen-2-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine
Formula	C₁₉ H₁₉ N₅ O
Molecular Weight	333.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)C(C)C)N
SMILES	CACTVS	3.370	COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34
SMILES	OpenEye OEToolkits	1.7.2	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N
Canonical SMILES	CACTVS	3.370	COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N
InChI	InChI	1.03	InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
InChIKey	InChI	1.03	YTSDNPLOCDVGNB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49850407
ChEMBL	CHEMBL1785020

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