Molecule card · MolClass #44828
17511614
17511614: 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
- 17511614Mitochondrial Fusion · compound_name
- MolClass ID
- 44828
- InChIKey
- VHJSCQSNCPYRRD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccccc1)C3=NN(c2ccccc2)C4C(=O)N(C(=O)C34)c5ccccc5Cl
- Standard InChI
- InChI=1S/C24H16ClN3O3/c25-17-13-7-8-14-18(17)27-23(30)19-20(22(29)15-9-3-1-4-10-15)26-28(21(19)24(27)31)16-11-5-2-6-12-16/h1-14,19,21H
- Stored Murcko scaffold
- N1=C([CH]c2ccccc2)C3[CH]N([CH]C3N1c4ccccc4)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.
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
- 70.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 429.856 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.107
- 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 · 17511614