FG0

1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

Created:	2020-05-11
Last modified:	2020-12-02

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1 entries where FG0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	11

2D diagram of FG0

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Chemical Component Summary
Name	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
Systematic Name (OpenEye OEToolkits)	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
Formula	C₂₀ H₂₃ N O₃ S
Molecular Weight	357.467
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2
Canonical SMILES	CACTVS	3.385	C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2
InChI	InChI	1.03	InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2
InChIKey	InChI	1.03	NCRPMBWORFWNGT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	70689288
ChEMBL	CHEMBL2098175

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