Molecule card · MolClass #40750
24784905
24784905: 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
- 24784905Mitochondrial Fusion · compound_name
- MolClass ID
- 40750
- InChIKey
- DCKMNYZDHUHMBA-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccc(CCNC(=O)CC2C(=O)NCCN2(CC1CCCCC1))n3
- Standard InChI
- InChI=1S/C21H32N4O2/c1-16-6-5-9-18(24-16)10-11-22-20(26)14-19-21(27)23-12-13-25(19)15-17-7-3-2-4-8-17/h5-6,9,17,19H,2-4,7-8,10-15H2,1H3,(H,22,26)(H,23,27)
- Stored Murcko scaffold
- n1ccccc1CCN[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 74.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.923
- 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 · 24784905