SJL

8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

Created:	2022-12-15
Last modified:	2023-05-15

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1 entries where SJL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	18

2D diagram of SJL

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Chemical Component Summary
Name	8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Systematic Name (OpenEye OEToolkits)	8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula	C₂₄ H₂₄ F₂ N₆ O
Molecular Weight	450.484
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(F)c(cc3F)c4cccc(C)n4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(n1)c2cc(c(cc2F)C3=Cc4cnc(nc4N(C3=O)CCCCN)NC)F
Canonical SMILES	CACTVS	3.385	CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(F)c(cc3F)c4cccc(C)n4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(n1)c2cc(c(cc2F)C3=Cc4cnc(nc4N(C3=O)CCCCN)NC)F
InChI	InChI	1.06	InChI=1S/C24H24F2N6O/c1-14-6-5-7-21(30-14)18-12-19(25)16(11-20(18)26)17-10-15-13-29-24(28-2)31-22(15)32(23(17)33)9-4-3-8-27/h5-7,10-13H,3-4,8-9,27H2,1-2H3,(H,28,29,31)
InChIKey	InChI	1.06	NELFAFAXIZFQJB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166451135

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.