V04

4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

Created:	2012-01-11
Last modified:	2012-01-11

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1 entries where V04 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	16

2D diagram of V04

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Chemical Component Summary
Name	4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(2-hydroxyethyloxy)-1H-indazole-5-carboxamide
Formula	C₁₆ H₁₄ F I N₄ O₃
Molecular Weight	456.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Ic1ccc(c(F)c1)Nc2c(ccc3c2cnn3)C(=O)NOCCO
SMILES	CACTVS	3.370	OCCONC(=O)c1ccc2[nH]ncc2c1Nc3ccc(I)cc3F
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO
Canonical SMILES	CACTVS	3.370	OCCONC(=O)c1ccc2[nH]ncc2c1Nc3ccc(I)cc3F
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO
InChI	InChI	1.03	InChI=1S/C16H14FIN4O3/c17-12-7-9(18)1-3-14(12)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
InChIKey	InChI	1.03	YMRXJLXWVAGVBT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2087076
PubChem	44545708
ChEMBL	CHEMBL2087076

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