UXA

~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide

Created:	2020-06-03
Last modified:	2020-06-17

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4 entries where UXA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of UXA

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Chemical Component Summary
Name	~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
Formula	C₁₁ H₁₁ N O₃
Molecular Weight	205.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc2c(cc1)OCO2)C(NC3CC3)=O
SMILES	CACTVS	3.385	O=C(NC1CC1)c2ccc3OCOc3c2
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(=O)NC3CC3)OCO2
Canonical SMILES	CACTVS	3.385	O=C(NC1CC1)c2ccc3OCOc3c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(=O)NC3CC3)OCO2
InChI	InChI	1.03	InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)
InChIKey	InChI	1.03	OUGQMSXIPFSZBI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4616833

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.