Molecule card · MolClass #41434
24784093
24784093: 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
- 24784093Mitochondrial Fusion · compound_name
- MolClass ID
- 41434
- InChIKey
- OMHGVONHAACROF-UHFFFAOYSA-N
- Canonical SMILES
- CCCN1C(N)=C(C(=O)N(C)C1(=O))c4nc(C2CCCC2)c(C(=O)c3ccc(cc3)NC(C)=O)s4
- Standard InChI
- InChI=1S/C25H29N5O4S/c1-4-13-30-22(26)18(24(33)29(3)25(30)34)23-28-19(15-7-5-6-8-15)21(35-23)20(32)16-9-11-17(12-10-16)27-14(2)31/h9-12,15H,4-8,13,26H2,1-3H3,(H,27,31)
- Stored Murcko scaffold
- n1cncc(c1)-c2nc(c(s2)[CH]c3ccccc3)C4CCCC4
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 153.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 495.596 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.255
- 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 · 24784093