Molecule card · MolClass #37897
24826982
24826982: 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
- 24826982Mitochondrial Fusion · compound_name
- MolClass ID
- 37897
- InChIKey
- BPVAWCLMNJPCPF-UHFFFAOYSA-N
- Canonical SMILES
- COCCn2c(C)cc(C(=O)CN1CCCCC1)c2(C)
- Standard InChI
- InChI=1S/C16H26N2O2/c1-13-11-15(14(2)18(13)9-10-20-3)16(19)12-17-7-5-4-6-8-17/h11H,4-10,12H2,1-3H3
- Stored Murcko scaffold
- c1cc(c[nH]1)[CH]CN2CCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.589
- 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 · 24826982