HAW

2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide

Created:	2018-12-03
Last modified:	2019-01-23

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1 entries where HAW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	0
Bond Count	66
Aromatic Bond Count	33

2D diagram of HAW

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Chemical Component Summary
Name	2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
Formula	C₂₈ H₂₃ N₇ O₂ S
Molecular Weight	521.593
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1ccc2ccc(cc12)c3cc(Nc4ccccc4[S](=O)(=O)NCc5cncnc5)cc6nccnc36
SMILES	OpenEye OEToolkits	2.0.6	Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6
Canonical SMILES	CACTVS	3.385	Cn1ccc2ccc(cc12)c3cc(Nc4ccccc4[S](=O)(=O)NCc5cncnc5)cc6nccnc36
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6
InChI	InChI	1.03	InChI=1S/C28H23N7O2S/c1-35-11-8-20-6-7-21(12-26(20)35)23-13-22(14-25-28(23)32-10-9-31-25)34-24-4-2-3-5-27(24)38(36,37)33-17-19-15-29-18-30-16-19/h2-16,18,33-34H,17H2,1H3
InChIKey	InChI	1.03	FHKKLQIBTXYWGR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122690681

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