A0Q

5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide

Created:	2017-08-09
Last modified:	2017-10-25

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3 entries where A0Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	18

2D diagram of A0Q

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Chemical Component Summary
Name	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide
Systematic Name (OpenEye OEToolkits)	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide
Formula	C₂₄ H₂₆ N₄ O₂
Molecular Weight	402.489
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccc(OCc3ccccc3)c(c2)C(=O)Nc4cccnc4
SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccc(OCc3ccccc3)c(c2)C(=O)Nc4cccnc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4
InChI	InChI	1.03	InChI=1S/C24H26N4O2/c1-27-12-14-28(15-13-27)21-9-10-23(30-18-19-6-3-2-4-7-19)22(16-21)24(29)26-20-8-5-11-25-17-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
InChIKey	InChI	1.03	QGEBKIOJSNPDFE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3604124
PubChem	51357515
ChEMBL	CHEMBL3604124

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.