Molecule card · MolClass #40982
22407060
22407060: 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
- 22407060Mitochondrial Fusion · compound_name
- MolClass ID
- 40982
- InChIKey
- JNJNKIAWFAHHRH-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN(C(=O)CN1CC(C)OC(C)C1)C=2C(=O)NC(=O)N(CC(C)C)C=2(N)
- Standard InChI
- InChI=1S/C20H35N5O4/c1-6-7-8-24(16(26)12-23-10-14(4)29-15(5)11-23)17-18(21)25(9-13(2)3)20(28)22-19(17)27/h13-15H,6-12,21H2,1-5H3,(H,22,27,28)
- Stored Murcko scaffold
- [N]1[CH]N[CH]C([N][CH]CN2CCOCC2)=C1
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.524 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.136
- 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 · 22407060