Molecule card · MolClass #51466
14741726
14741726: 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
- 14741726Mitochondrial Fusion · compound_name
- MolClass ID
- 51466
- InChIKey
- FAHOUHBDELQUTQ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C4C=5C(=O)CC(C)(C)CC=5(OC=3N=CN(Cc2ccccc2)C(=N)C=34)
- Standard InChI
- InChI=1S/C27H27N3O3/c1-27(2)13-20(31)23-21(14-27)33-26-24(22(23)18-9-11-19(32-3)12-10-18)25(28)30(16-29-26)15-17-7-5-4-6-8-17/h4-12,16,22,28H,13-15H2,1-3H3
- Stored Murcko scaffold
- N1=CN([CH]C2=C1OC3=C([CH]CCC3)C2c4ccccc4)Cc5ccccc5
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 441.523 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.959
- 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 · 14741726