AP

N-1-AMINOPYRENE

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where AP is covalently linked to polymer or other heterogen groups

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	28
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	19

2D diagram of AP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-1-AMINOPYRENE
Systematic Name (OpenEye OEToolkits)	pyren-1-amine
Formula	C₁₆ H₁₁ N
Molecular Weight	217.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c4cc2ccc1ccc(N)c3c1c2c(cc3)c4
SMILES	CACTVS	3.341	Nc1ccc2ccc3cccc4ccc1c2c34
SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3ccc(c4c3c2c(c1)cc4)N
Canonical SMILES	CACTVS	3.341	Nc1ccc2ccc3cccc4ccc1c2c34
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3ccc(c4c3c2c(c1)cc4)N
InChI	InChI	1.03	InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
InChIKey	InChI	1.03	YZVWKHVRBDQPMQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15352
ChEMBL	CHEMBL400756
CCDC/CSD	KAZZIY

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.