PL0

1-phenylguanidine

Created:	2007-06-26
Last modified:	2011-06-04

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2 entries where PL0 is found as a standalone ligand1 entries where PL0 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of PL0

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Chemical Component Summary
Name	1-phenylguanidine
Systematic Name (OpenEye OEToolkits)	1-phenylguanidine
Formula	C₇ H₉ N₃
Molecular Weight	135.166
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(Nc1ccccc1)N
SMILES	CACTVS	3.341	NC(=N)Nc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(N)Nc1ccccc1
Canonical SMILES	CACTVS	3.341	NC(=N)Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(/N)\Nc1ccccc1
InChI	InChI	1.03	InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKey	InChI	1.03	QRJZGVVKGFIGLI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16157
ChEMBL	CHEMBL14047
CCDC/CSD	MIFQOH, PAWSAH
COD	2200925

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.