RP9

~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Created:	2022-12-05
Last modified:	2023-09-13

Find Related PDB Entry
1 entries where RP9 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of RP9

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide
Formula	C₁₆ H₁₃ Br N₄ O₂
Molecular Weight	373.204
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)C(=O)N(C=N2)CCC(=O)Nc3ccc(cn3)Br
Canonical SMILES	CACTVS	3.385	Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)C(=O)N(C=N2)CCC(=O)Nc3ccc(cn3)Br
InChI	InChI	1.06	InChI=1S/C16H13BrN4O2/c17-11-5-6-14(18-9-11)20-15(22)7-8-21-10-19-13-4-2-1-3-12(13)16(21)23/h1-6,9-10H,7-8H2,(H,18,20,22)
InChIKey	InChI	1.06	FGODKUDXJWXULG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16426130
ChEMBL	CHEMBL4558806

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.