Compound Summary


  Compound Information
 FSCPX

Compound Name:

FSCPX

Compound CID:

133012

Synonyms:

FSCPX

156547-56-7

CHEMBL327708

FSCPX xanthine

8-Cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine

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Iupac Name:

3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propyl 4-fluorosulfonylbenzoate

InChI:

InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)

InChIKey:

XJLGXHIRSHTRPQ-UHFFFAOYSA-N

Canonical Smiles:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCOC(=O)C4=CC=C(C=C4)S(=O)(=O)F

Isomeric Smiles:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCOC(=O)C4=CC=C(C=C4)S(=O)(=O)F

Molecular Weight:

506.5

Molecular Formula:

C23H27FN4O6S

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 FSCPX

Molecular Weight:

506.5

Molecular Formula:

C23H27FN4O6S

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

8

Rotatable Bond Count:

10

Heavy Atom Count:

35

Complexity:

898

  Synonyms
 FSCPX

FSCPX FSCPX

FSCPX

156547-56-7

CHEMBL327708

FSCPX xanthine

8-Cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine

8-Cyclopentyl-3-3-4(fluorosulphonyl)benzoyloxypropyl-1-propylxanthine

Lopac-F-7927

3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propyl 4-fluorosulfonylbenzoate

Lopac0_000507

SCHEMBL787826

DTXSID00166094

HMS3261F15

Tox21_500507

BDBM50039676

8-Cyclopentyl-N3-3-(4-(fluorosulfonyl)benzoyloxy)propyl-N1-propylxanthine

CCG-204598

LP00507

SDCCGSBI-0050491.P002

NCGC00015447-01

NCGC00015447-02

NCGC00015447-03

NCGC00015447-04

NCGC00093905-01

NCGC00093905-02

NCGC00261192-01

HY-116042

CS-0063585

EU-0100507

F 7927

SR-01000075884

J-009310

SR-01000075884-1

3-(8-Cyclopentyl-2,6-Dioxo-1-Propyl-7H-Purin-3-ylPropyl 4-Fluorosulfonylbenzoate

4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester

4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester(FSCPX)

  Experimental Data
 FSCPX

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Caenorhabditis elegans 33 umol/L 18 NS N2 24134630 Inactive
  Experimental Data Visualization
 FSCPX

  Statistics Data
 FSCPX

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Caenorhabditis elegans 18 1 1
  Statistics Data Visualization
 FSCPX