EP4

5'-deoxy-5'-(dimethylamino)adenosine

Created:	2012-05-30
Last modified:	2012-10-12

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1 entries where EP4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	4
Bond Count	41
Aromatic Bond Count	10

2D diagram of EP4

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Chemical Component Summary
Name	5'-deoxy-5'-(dimethylamino)adenosine
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(dimethylamino)methyl]oxolane-3,4-diol
Formula	C₁₂ H₁₈ N₆ O₃
Molecular Weight	294.31
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(C)C)N
SMILES	CACTVS	3.370	CN(C)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.7.6	CN(C)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILES	CACTVS	3.370	CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChI	InChI	1.03	InChI=1S/C12H18N6O3/c1-17(2)3-6-8(19)9(20)12(21-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey	InChI	1.03	SLNWRDWGFHZRAQ-WOUKDFQISA-N

Related Resource References

Resource Name	Reference
PubChem	25231309
ChEMBL	CHEMBL472733

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