12B

BENZO[CD]INDOL-2(1H)-ONE

Created:	2005-11-30
Last modified:	2011-06-04

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1 entries where 12B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of 12B

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Chemical Component Summary
Name	BENZO[CD]INDOL-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₁ H₇ N O
Molecular Weight	169.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3c2cccc1cccc(c12)N3
SMILES	CACTVS	3.341	O=C1Nc2cccc3cccc1c23
SMILES	OpenEye OEToolkits	1.5.0	c1cc2cccc3c2c(c1)C(=O)N3
Canonical SMILES	CACTVS	3.341	O=C1Nc2cccc3cccc1c23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2cccc3c2c(c1)C(=O)N3
InChI	InChI	1.03	InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChIKey	InChI	1.03	GPYLCFQEKPUWLD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	67222
ChEMBL	CHEMBL217045

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.