Molecule card · MolClass #40971
14742477
14742477: 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
- 14742477Mitochondrial Fusion · compound_name
- MolClass ID
- 40971
- InChIKey
- PKBFNXKOJSZQDD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=4CC5c6ccccc6(OC3(C(=O)Nc2ccccc23)N5(N=4))
- Standard InChI
- InChI=1S/C24H19N3O2/c1-15-10-12-16(13-11-15)20-14-21-17-6-2-5-9-22(17)29-24(27(21)26-20)18-7-3-4-8-19(18)25-23(24)28/h2-13,21H,14H2,1H3,(H,25,28)
- Stored Murcko scaffold
- N1=C(c2ccccc2)CC3c4ccccc4OC5([CH]Nc6ccccc65)N13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.684
- 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 · 14742477