Molecule card · MolClass #48887
24841718
24841718: 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
- 24841718Mitochondrial Fusion · compound_name
- MolClass ID
- 48887
- InChIKey
- ODKVSFKEMBQORC-KRWDZBQOSA-N
- Canonical SMILES
- FC(F)(F)c3cc(CCN1C(CNC1=S)Cc2ccccc2)cc(c3)C(F)(F)F
- Standard InChI
- InChI=1S/C20H18F6N2S/c21-19(22,23)15-8-14(9-16(11-15)20(24,25)26)6-7-28-17(12-27-18(28)29)10-13-4-2-1-3-5-13/h1-5,8-9,11,17H,6-7,10,12H2,(H,27,29)/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.
- 24841710#48889
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.428 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.221
- 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 · 24841718