Molecule card · MolClass #51545
14737173
14737173: 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
- 14737173Mitochondrial Fusion · compound_name
- MolClass ID
- 51545
- InChIKey
- FBTWJBDSPSQIHU-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1c2c(C)nn3c(cc(C)nc23)N4CCN(CC4)Cc5ccccc5
- Standard InChI
- InChI=1S/C26H29N5O/c1-19-17-24(30-15-13-29(14-16-30)18-21-9-5-4-6-10-21)31-26(27-19)25(20(2)28-31)22-11-7-8-12-23(22)32-3/h4-12,17H,13-16,18H2,1-3H3
- Stored Murcko scaffold
- n1ccc(n2ncc(-c3ccccc3)c12)N4CCN(Cc5ccccc5)CC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.542 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.218
- 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 · 14737173