FH0

~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine

Created:	2020-05-13
Last modified:	2021-03-03

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1 entries where FH0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	0
Bond Count	68
Aromatic Bond Count	23

2D diagram of FH0

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Chemical Component Summary
Name	~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
Formula	C₂₆ H₂₈ N₈ O
Molecular Weight	468.554
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc4c6cccnc6)cc2
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc4c6cccnc6)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5
InChI	InChI	1.03	InChI=1S/C26H28N8O/c1-32-11-13-33(14-12-32)21-6-4-20(5-7-21)29-26-28-10-8-22(30-26)24-23-18-35-16-15-34(23)31-25(24)19-3-2-9-27-17-19/h2-10,17H,11-16,18H2,1H3,(H,28,29,30)
InChIKey	InChI	1.03	OCSGNUMYNBZDDW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804434

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.