WPH

1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea

Created:	2013-02-26
Last modified:	2013-06-05

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1 entries where WPH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	72
Chiral Atom Count	0
Bond Count	76
Aromatic Bond Count	28

2D diagram of WPH

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Chemical Component Summary
Name	1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
Systematic Name (OpenEye OEToolkits)	1-[4-[2-[[6-[4-[2-(dimethylamino)ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenyl-urea
Formula	C₃₁ H₃₂ N₆ O₃
Molecular Weight	536.624
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1)Nc2ccc(cc2)CCNc3ncnc4oc(cc34)c5ccc(OCCN(C)C)cc5
SMILES	CACTVS	3.370	CN(C)CCOc1ccc(cc1)c2oc3ncnc(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)c3c2
SMILES	OpenEye OEToolkits	1.7.6	CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5
Canonical SMILES	CACTVS	3.370	CN(C)CCOc1ccc(cc1)c2oc3ncnc(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)c3c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5
InChI	InChI	1.03	InChI=1S/C31H32N6O3/c1-37(2)18-19-39-26-14-10-23(11-15-26)28-20-27-29(33-21-34-30(27)40-28)32-17-16-22-8-12-25(13-9-22)36-31(38)35-24-6-4-3-5-7-24/h3-15,20-21H,16-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)
InChIKey	InChI	1.03	GJFJLQXYFZSVOD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2398657
PubChem	44468256
ChEMBL	CHEMBL2398657

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