B5A

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

Created:	2011-12-22
Last modified:	2011-12-22

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2 entries where B5A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	10

2D diagram of B5A

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Chemical Component Summary
Name	1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Formula	C₁₁ H₁₆ N₆
Molecular Weight	232.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c2c(nc1)n(nc2)CC3CCNCC3)N
SMILES	CACTVS	3.370	Nc1ncnc2n(CC3CCNCC3)ncc12
SMILES	OpenEye OEToolkits	1.7.6	c1c2c(ncnc2n(n1)CC3CCNCC3)N
Canonical SMILES	CACTVS	3.370	Nc1ncnc2n(CC3CCNCC3)ncc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c2c(ncnc2n(n1)CC3CCNCC3)N
InChI	InChI	1.03	InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)
InChIKey	InChI	1.03	WIWYTHZSXOQVGK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56835766
ChEMBL	CHEMBL2030559

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