Molecule card · MolClass #41333
7967440
7967440: 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
- 7967440Mitochondrial Fusion · compound_name
- MolClass ID
- 41333
- InChIKey
- ISSLCOJIWPICDZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(NC(=O)Cn1cc2CCCCCc2(n1))c3ccccc3
- Standard InChI
- InChI=1S/C18H23N3O/c1-14(15-8-4-2-5-9-15)19-18(22)13-21-12-16-10-6-3-7-11-17(16)20-21/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]NCc3ccccc3)CCCCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.509
- 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 · 7967440