Molecule card · MolClass #48830
7965494
7965494: 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
- 7965494Mitochondrial Fusion · compound_name
- MolClass ID
- 48830
- InChIKey
- QCWPFVYZZCHKKZ-UHFFFAOYSA-N
- Canonical SMILES
- CC2(CCC(=O)N2(CCc1ccccc1))(C(=O)NCc3cccnc3)
- Standard InChI
- InChI=1S/C20H23N3O2/c1-20(19(25)22-15-17-8-5-12-21-14-17)11-9-18(24)23(20)13-10-16-6-3-2-4-7-16/h2-8,12,14H,9-11,13,15H2,1H3,(H,22,25)
- Stored Murcko scaffold
- n1cccc(c1)CN[CH]C2N([CH]CC2)CCc3ccccc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 62.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.541
- 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 · 7965494