R70

3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione

Created:	2018-10-17
Last modified:	2018-10-31

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1 entries where R70 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	18

2D diagram of R70

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Chemical Component Summary
Name	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
Systematic Name (OpenEye OEToolkits)	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
Formula	C₂₄ H₁₈ N₂ O₄
Molecular Weight	398.411
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccccc1C2=C(Nc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC2=O
SMILES	OpenEye OEToolkits	2.0.6	COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4
Canonical SMILES	CACTVS	3.385	COc1ccccc1C2=C(Nc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4
InChI	InChI	1.03	InChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29)
InChIKey	InChI	1.03	CXBAABOAUNPLDL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134822023

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.