4L6

4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide

Created:	2015-04-07
Last modified:	2015-07-01

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1 entries where 4L6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	21

2D diagram of 4L6

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Chemical Component Summary
Name	4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide
Systematic Name (OpenEye OEToolkits)	4-azanyl-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide
Formula	C₁₇ H₁₄ N₆ O
Molecular Weight	318.333
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc2cc1cnnc1cc2c3cccc4c3nnc(c4N)C(N)=O
SMILES	CACTVS	3.385	Cc1cc2cn[nH]c2cc1c3cccc4c(N)c(nnc34)C(N)=O
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N
Canonical SMILES	CACTVS	3.385	Cc1cc2cn[nH]c2cc1c3cccc4c(N)c(nnc34)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N
InChI	InChI	1.03	InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
InChIKey	InChI	1.03	PTHVKCSYXICMAR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3586447
PubChem	71765510
ChEMBL	CHEMBL3586447

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.