1PH

2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide

Created:	2013-04-20
Last modified:	2014-03-26

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1 entries where 1PH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	22

2D diagram of 1PH

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Chemical Component Summary
Name	2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide
Systematic Name (OpenEye OEToolkits)	2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]ethanamide
Formula	C₂₁ H₁₈ N₄ O₃ S
Molecular Weight	406.458
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c4cccc(c1c2cc(ccc2nn1)NC(=O)Cc3ccccc3)c4
SMILES	CACTVS	3.370	N[S](=O)(=O)c1cccc(c1)c2[nH]nc3ccc(NC(=O)Cc4ccccc4)cc23
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N
Canonical SMILES	CACTVS	3.370	N[S](=O)(=O)c1cccc(c1)c2[nH]nc3ccc(NC(=O)Cc4ccccc4)cc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(12-17)21-18-13-16(9-10-19(18)24-25-21)23-20(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKey	InChI	1.03	WCYCISQGDVZZOB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	67455813
ChEMBL	CHEMBL3330255

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