English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

YK9

Summary

Name:	4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE
Formula:	C19 H11 N3 O
Formal charge:	0
Formula weight:	297.31 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-one
OpenEye OEToolkits	1.7.2	4-(1H-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4c3cccc(c2nc1cnccc1n2)c3c5ccccc45
SMILES_CANONICAL	CACTVS	3.370	O=C1c2ccccc2c3c(cccc13)c4[nH]c5ccncc5n4
SMILES	CACTVS	3.370	O=C1c2ccccc2c3c(cccc13)c4[nH]c5ccncc5n4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4
SMILES	OpenEye OEToolkits	1.7.2	c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4
InChI	InChI	1.03	InChI=1S/C19H11N3O/c23-18-12-5-2-1-4-11(12)17-13(18)6-3-7-14(17)19-21-15-8-9-20-10-16(15)22-19/h1-10H,(H,21,22)
InChIKey	InChI	1.03	MAPDUHHTXROZLC-UHFFFAOYSA-N

224931

PDB entries from 2024-09-11

PDB statistics

PDBj update info

Contact PDBj

numon