0J6

N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide

Created:	2012-01-20
Last modified:	2012-01-20

Find Related PDB Entry
1 entries where 0J6 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	34
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	21

2D diagram of 0J6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
Formula	C₁₅ H₁₁ N₇ O
Molecular Weight	305.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2ccc1nncc1c2)Nc3cccc(c3)c4nnnn4
SMILES	CACTVS	3.370	O=C(Nc1cccc(c1)c2[nH]nnn2)c3ccc4n[nH]cc4c3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4
Canonical SMILES	CACTVS	3.370	O=C(Nc1cccc(c1)c2[nH]nnn2)c3ccc4n[nH]cc4c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4
InChI	InChI	1.03	InChI=1S/C15H11N7O/c23-15(10-4-5-13-11(6-10)8-16-18-13)17-12-3-1-2-9(7-12)14-19-21-22-20-14/h1-8H,(H,16,18)(H,17,23)(H,19,20,21,22)
InChIKey	InChI	1.03	UWMWXBXKWPTZOO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56851706
ChEMBL	CHEMBL2031558

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.