FXB

5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

Created:	2018-08-11
Last modified:	2019-03-27

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3 entries where FXB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	11

2D diagram of FXB

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Chemical Component Summary
Name	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
Systematic Name (OpenEye OEToolkits)	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
Formula	C₂₁ H₂₁ N O₃
Molecular Weight	335.396
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13
SMILES	OpenEye OEToolkits	2.0.6	CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2
Canonical SMILES	CACTVS	3.385	CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2
InChI	InChI	1.03	InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3
InChIKey	InChI	1.03	SPPQIWGQWJYZTO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137552736

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.