Molecule card · MolClass #49728
24785769
24785769: 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
- 24785769Mitochondrial Fusion · compound_name
- MolClass ID
- 49728
- InChIKey
- MQMUQMLSIZCXMX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)C4C(=N)C(C(=O)Nc2ccc(cc2)Cl)=C(Nc3ccccc3)S4
- Standard InChI
- InChI=1S/C25H21ClN4O2S/c1-15-7-11-18(12-8-15)29-24(32)22-21(27)20(23(31)28-19-13-9-16(26)10-14-19)25(33-22)30-17-5-3-2-4-6-17/h2-14,22,27,30H,1H3,(H,28,31)(H,29,32)
- Stored Murcko scaffold
- S1C(Nc2ccccc2)=C([CH]Nc3ccccc3)[CH]C1[CH]Nc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 119.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 476.98 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.005
- 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 · 24785769