Molecule card · MolClass #44816
17407224
17407224: 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
- 17407224Mitochondrial Fusion · compound_name
- MolClass ID
- 44816
- InChIKey
- RMVOBJLAMOMELC-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C=C(N=C3N(N=C(C(=O)c1ccccc1)N23)c4cccc(c4)Cl)c5ccccc5
- Standard InChI
- InChI=1S/C24H15ClN4O2/c25-18-12-7-13-19(14-18)29-24-26-20(16-8-3-1-4-9-16)15-21(30)28(24)23(27-29)22(31)17-10-5-2-6-11-17/h1-15H
- Stored Murcko scaffold
- N=1C(=C[CH]N2C(=NN(c3ccccc3)C12)[CH]c4ccccc4)c5ccccc5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 426.855 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.552
- 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 · 17407224