Molecule card · MolClass #38045
24780156
24780156: 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
- 24780156Mitochondrial Fusion · compound_name
- MolClass ID
- 38045
- InChIKey
- SGVFMDDLTSECGE-UHFFFAOYSA-N
- Canonical SMILES
- CCc3cc(CNC(=O)CC2C(=O)NCCN2(Cc1c(F)cccc1Cl))on3
- Standard InChI
- InChI=1S/C19H22ClFN4O3/c1-2-12-8-13(28-24-12)10-23-18(26)9-17-19(27)22-6-7-25(17)11-14-15(20)4-3-5-16(14)21/h3-5,8,17H,2,6-7,9-11H2,1H3,(H,22,27)(H,23,26)
- Stored Murcko scaffold
- n1oc(cc1)CN[CH]CC2[CH]NCCN2Cc3ccccc3
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.
- 24799233#40959
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.855 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.827
- 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 · 24780156