Molecule card · MolClass #48889
24841710
24841710: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24841710Mitochondrial Fusion · compound_name
- MolClass ID
- 48889
- InChIKey
- ZAXOPHXUGKFBBD-KRWDZBQOSA-N
- Canonical SMILES
- Fc3cccc(CCN1C(CNC1=S)Cc2ccccc2)c3
- Standard InChI
- InChI=1S/C18H19FN2S/c19-16-8-4-7-15(11-16)9-10-21-17(13-20-18(21)22)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,20,22)/t17-/m0/s1
- Stored Murcko scaffold
- c1ccc(cc1)CCN2[CH]NCC2Cc3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 24841718#48887
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.532
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24841710