R9F

7-fluoro-9H-pyrimido[4,5-b]indol-4-amine

Created:	2022-06-22
Last modified:	2022-07-06

Find Related PDB Entry
2 entries where R9F 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	22
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	15

2D diagram of R9F

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-fluoro-9H-pyrimido[4,5-b]indol-4-amine
Systematic Name (OpenEye OEToolkits)	7-fluoranyl-9~{H}-pyrimido[4,5-b]indol-4-amine
Formula	C₁₀ H₇ F N₄
Molecular Weight	202.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc2c(c1)[NH]c1ncnc(N)c21
SMILES	CACTVS	3.385	Nc1ncnc2[nH]c3cc(F)ccc3c12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1F)[nH]c3c2c(ncn3)N
Canonical SMILES	CACTVS	3.385	Nc1ncnc2[nH]c3cc(F)ccc3c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1F)[nH]c3c2c(ncn3)N
InChI	InChI	1.06	InChI=1S/C10H7FN4/c11-5-1-2-6-7(3-5)15-10-8(6)9(12)13-4-14-10/h1-4H,(H3,12,13,14,15)
InChIKey	InChI	1.06	LFMLBPCSGKLSSW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156876771

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.