AH4

2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

Created:	2017-07-17
Last modified:	2017-12-06

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1 entries where AH4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	18

2D diagram of AH4

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Chemical Component Summary
Name	2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
Systematic Name (OpenEye OEToolkits)	2-(diphenylamino)-~{N}-[7-(oxidanylamino)-7-oxidanylidene-heptyl]pyrimidine-5-carboxamide
Formula	C₂₄ H₂₇ N₅ O₃
Molecular Weight	433.503
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(O)C(CCCCCCNC(c3cnc(N(c1ccccc1)c2ccccc2)nc3)=O)=O
SMILES	CACTVS	3.385	ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO
Canonical SMILES	CACTVS	3.385	ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO
InChI	InChI	1.03	InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
InChIKey	InChI	1.03	QGZYDVAGYRLSKP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB12376
Name	Ricolinostat
Groups	investigational
Description	Ricolinostat is under investigation for the treatment of Breast Carcinoma and Metastatic Breast Cancer.
Synonyms	Ricolinostat
Categories	Amines Antineoplastic Agents Enzyme Inhibitors Histone Deacetylase Inhibitors Hydroxy Acids Hydroxylamines Moderate Risk QTc-Prolonging Agents QTc Prolonging Agents
CAS number	1316214-52-4

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2364628
PubChem	53340666
ChEMBL	CHEMBL2364628
ChEBI	CHEBI:95073

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.